Geometry & MOs

Info

ID:	152237
PubChem CID:	56311126
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	372.195011
ΔH_f, kcal/mol:	-14.85
Dipole, Da:	4.65
IP(EA), eV:	-9.08(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C3CCN(C3=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations