Geometry & MOs

Info

ID:	152142
PubChem CID:	56311008
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	428.221226
ΔH_f, kcal/mol:	-109.6
Dipole, Da:	3.4
IP(EA), eV:	-9.07(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]indol-1-yl]propanenitrile

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C)C

DOS

IR

Vibrations