Geometry & MOs

Info

ID:

321298

PubChem CID:

126665708

Reduced:

FO2N7H30C31 (1)

Stoich.:

AB2C7D30E31 (1)

Weight, g/mol:

595.21951

ΔHf, kcal/mol:

30.84

Dipole, Da:

2.66

IP(EA), eV:

 -9.44(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[(cyclopropylmethylamino)-(4-methoxynaphthalen-1-yl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1CCC(C2=CC=C(C=C2)C#N)(C3=CC(=C(C=C3)F)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)CN)C(=O)N)N

DOS

IR

Vibrations