Geometry & MOs

Info

ID:

146301

PubChem CID:

53666576

Reduced:

ClO10N12H113C131 (1)

Stoich.:

AB10C12D113E131 (1)

Weight, g/mol:

396.158626

ΔHf, kcal/mol:

-64.55

Dipole, Da:

24.62

IP(EA), eV:

 -8.56(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,6-dimethyl-N-[4-(pyrimidin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C)C.CC1=C(C2=C(C=C1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=NC=CC=N4)C.CC1=C(C2=C(C=C1)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C(=O)NC4=CC=CC=C4)Cl)C.CC1=C(C2=C(C=C1)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4)C)C.CC1=C(C2=C(C=C1)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4)C)C

DOS

IR

Vibrations