Geometry & MOs

Info

ID:	171580
PubChem CID:	75397800
Reduced:	IN2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	347.138225
ΔH_f, kcal/mol:	-17.73
Dipole, Da:	4.86
IP(EA), eV:	-8.97(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)COC(=O)C3=NC(=C(C=C3)OC)I

DOS

IR

Vibrations