Geometry & MOs

Info

ID:	148407
PubChem CID:	53788069
Reduced:	C13H17 (2)
Stoich.:	A13B17 (2)
Weight, g/mol:	464.16489
ΔH_f, kcal/mol:	34.21
Dipole, Da:	0.25
IP(EA), eV:	-8.59(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3-chlorophenyl)piperazin-2-yl]methyl]-2-ethyl-4-(methanesulfonamido)-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC2CC=C[C@H](C2C=C1)C3C=CCC4C3C=CC(=C4)C(C)C

DOS

IR

Vibrations