Geometry & MOs

Info

ID:	142969
PubChem CID:	53125154
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	409.115045
ΔH_f, kcal/mol:	20.01
Dipole, Da:	2.89
IP(EA), eV:	-9.28(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)OC)C3=CN=CC=C3

DOS

IR

Vibrations