Geometry & MOs

Info

ID:	152932
PubChem CID:	56312026
Reduced:	ON7C24H29 (1)
Stoich.:	AB7C24D29 (1)
Weight, g/mol:	413.187005
ΔH_f, kcal/mol:	42.64
Dipole, Da:	5.47
IP(EA), eV:	-8.71(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C3=NC(=NC(=N3)NC4=CC=CC=C4)N

DOS

IR

Vibrations