Geometry & MOs

Info

ID:	151916
PubChem CID:	56310742
Reduced:	ON2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	464.224597
ΔH_f, kcal/mol:	-35.69
Dipole, Da:	6.04
IP(EA), eV:	-8.78(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations