Geometry & MOs

Info

ID:	46071
PubChem CID:	10521120
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	-115.89
Dipole, Da:	1.75
IP(EA), eV:	-9.07(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NCCC2=CC=CC=C2

DOS

IR

Vibrations