Geometry & MOs

Info

ID:	357037
PubChem CID:	127293106
Reduced:	ClON4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	6.96
Dipole, Da:	3.23
IP(EA), eV:	-8.76(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)C3=CN(N=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations