Geometry & MOs

Info

ID:	142970
PubChem CID:	53125239
Reduced:	OF3N5H14C21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	409.115045
ΔH_f, kcal/mol:	-39.75
Dipole, Da:	8.04
IP(EA), eV:	-9.16(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-difluorophenyl)-1-(4-fluoro-3-methylphenyl)-5-pyridin-3-yltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2C(=C(N=N2)C(=O)NC3=CC(=C(C=C3)F)F)C4=CN=CC=C4)F

DOS

IR

Vibrations