Geometry & MOs

Info

ID:	153251
PubChem CID:	56312417
Reduced:	O3N4C22H34 (1)
Stoich.:	A3B4C22D34 (1)
Weight, g/mol:	465.262757
ΔH_f, kcal/mol:	-143.91
Dipole, Da:	5.57
IP(EA), eV:	-9.08(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N(C)CC(=O)NC(C)(C)C

DOS

IR

Vibrations