Geometry & MOs

Info

ID:	353672
PubChem CID:	127285249
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-111.19
Dipole, Da:	5.66
IP(EA), eV:	-9.48(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC(=O)NCC2=CC=C(C=C2)C(=O)N3CCCC3

DOS

IR

Vibrations