Geometry & MOs

Info

ID:	72209
PubChem CID:	48415926
Reduced:	ClO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	374.185509
ΔH_f, kcal/mol:	-35.78
Dipole, Da:	5.12
IP(EA), eV:	-9.15(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CCCC1=NC2=CC=CC=C2N1)OC3=CC(=CC=C3)Cl

DOS

IR

Vibrations