Geometry & MOs

Info

ID:	351722
PubChem CID:	127282122
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-46.01
Dipole, Da:	3.99
IP(EA), eV:	-8.82(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(1-phenyltriazole-4-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=NNC(=C3)C4CC4

DOS

IR

Vibrations