Geometry & MOs

Info

ID:	151756
PubChem CID:	56310492
Reduced:	FO3N4C27H33 (1)
Stoich.:	AB3C4D27E33 (1)
Weight, g/mol:	419.257277
ΔH_f, kcal/mol:	-127.88
Dipole, Da:	2.83
IP(EA), eV:	-8.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations