Geometry & MOs

Info

ID:	9566
PubChem CID:	91040
Reduced:	ClOSN2C26H29 (1)
Stoich.:	ABCD2E26F29 (1)
Weight, g/mol:	452.168912
ΔH_f, kcal/mol:	29.14
Dipole, Da:	2.93
IP(EA), eV:	-8.28(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-(2-methoxyphenyl)piperazine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)CCSC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations