Geometry & MOs

Info

ID:	152551
PubChem CID:	56311507
Reduced:	O3N4C27H34 (1)
Stoich.:	A3B4C27D34 (1)
Weight, g/mol:	433.132382
ΔH_f, kcal/mol:	-95.45
Dipole, Da:	3.82
IP(EA), eV:	-9.19(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dichlorophenyl)-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCC3=CC=C(C=C3)C(=O)N4CCCC4

DOS

IR

Vibrations