Geometry & MOs

Info

ID:	152361
PubChem CID:	56311276
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	413.187005
ΔH_f, kcal/mol:	-66.32
Dipole, Da:	7.1
IP(EA), eV:	-8.66(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4,6-dimethylphenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NCC(C)C3=CC=CC=C3

DOS

IR

Vibrations