Geometry & MOs

Info

ID:	330668
PubChem CID:	127248075
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-101.04
Dipole, Da:	4.08
IP(EA), eV:	-8.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[1-(4-ethylbenzoyl)-3-hydroxypyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)CC2(CCN(C2)C(=O)/C=C/C3=CC=CC=C3)O

DOS

IR

Vibrations