Geometry & MOs

Info

ID:

146300

PubChem CID:

53666575

Reduced:

FC28H29 (1)

Stoich.:

AB28C29 (1)

Weight, g/mol:

2049.84247

ΔHf, kcal/mol:

5.3

Dipole, Da:

2.26

IP(EA), eV:

-9.04(-0.22)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[3-chloro-4-(phenylcarbamoyl)phenyl]-5,6-dimethylnaphthalene-2-carboxamide;5,6-dimethyl-N-[2-methyl-4-(phenylcarbamoyl)phenyl]naphthalene-2-carboxamide;5,6-dimethyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]naphthalene-2-carboxamide;5,6-dimethyl-N-[4-(pyrimidin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C=CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations