Geometry & MOs

Info

ID:	291453
PubChem CID:	112379021
Reduced:	SN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	-54.16
Dipole, Da:	2.66
IP(EA), eV:	-8.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-4-phenylbutan-2-yl)acetamide

Drug info:

PubChemData

Smile

CCSC1=NC=CC(=C1)C(=O)NC(C)C(CC2=CC=CC=C2)O

DOS

IR

Vibrations