Geometry & MOs

Info

ID:	62346
PubChem CID:	26719414
Reduced:	NO2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	323.101839
ΔH_f, kcal/mol:	-59.47
Dipole, Da:	9.47
IP(EA), eV:	-9.25(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(3-nitrophenyl)-2-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=C1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C)C

DOS

IR

Vibrations