Geometry & MOs

Info

ID:	145483
PubChem CID:	53533045
Reduced:	ON3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	347.220892
ΔH_f, kcal/mol:	65.51
Dipole, Da:	3.43
IP(EA), eV:	-8.78(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C#CCN1CCC2(CC1)NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

DOS

IR

Vibrations