Geometry & MOs

Info

ID:	151754
PubChem CID:	56310486
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	468.219512
ΔH_f, kcal/mol:	-102.38
Dipole, Da:	1.77
IP(EA), eV:	-9.06(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations