Geometry & MOs

Info

ID:	190692
PubChem CID:	78042452
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	491.197569
ΔH_f, kcal/mol:	8.77
Dipole, Da:	4.82
IP(EA), eV:	-9.06(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[2-chloro-4-(2-hydroxyethoxy)phenyl]-3-(4-methylphenyl)piperazin-1-yl]-1-hydroxyethyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C1=NC2=C(N1C3CCC(C3)NCCN)C4=CC=CC=C4N=C2)O

DOS

IR

Vibrations