Geometry & MOs

Info

ID:	370892
PubChem CID:	127341218
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-67.0
Dipole, Da:	3.93
IP(EA), eV:	-9.35(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethyl-3-oxopiperazin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CC(=O)NC2(CCC2)C3=CC=CC=C3

DOS

IR

Vibrations