Geometry & MOs

Info

ID:	342373
PubChem CID:	127265196
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	333.15896
ΔH_f, kcal/mol:	-143.86
Dipole, Da:	5.61
IP(EA), eV:	-8.76(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyanophenyl)-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1)NC(=O)C2CC(=O)N(C2)C(C)(C)C

DOS

IR

Vibrations