Geometry & MOs

Info

ID:	152258
PubChem CID:	56311151
Reduced:	O2N3C25H27 (1)
Stoich.:	A2B3C25D27 (1)
Weight, g/mol:	415.225977
ΔH_f, kcal/mol:	-31.21
Dipole, Da:	1.64
IP(EA), eV:	-8.52(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-naphthalen-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations