Geometry & MOs

Info

ID:	348429
PubChem CID:	127273530
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	364.193297
ΔH_f, kcal/mol:	-123.6
Dipole, Da:	1.9
IP(EA), eV:	-8.62(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]butan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CC(C)NC(=O)[C@H]2COCC(=O)N2CC3=CC=CC=C3

DOS

IR

Vibrations