Geometry & MOs

Info

ID:	172552
PubChem CID:	75524412
Reduced:	FO2N5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	423.207053
ΔH_f, kcal/mol:	-35.92
Dipole, Da:	4.86
IP(EA), eV:	-9.32(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)-2-oxoethyl]-N-(2-fluoro-5-methylphenyl)-N-[1-(4-methylphenyl)ethyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)N(C2=C(C=CC(=C2)C)F)C(=O)C3=CN(N=N3)CC(=O)N

DOS

IR

Vibrations