Geometry & MOs

Info

ID:	345595
PubChem CID:	127269895
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-113.61
Dipole, Da:	4.54
IP(EA), eV:	-8.77(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NC2CC3=CC=CC=C3OC2

DOS

IR

Vibrations