Geometry & MOs

Info

ID:	152257
PubChem CID:	56311150
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	401.210327
ΔH_f, kcal/mol:	-51.75
Dipole, Da:	2.61
IP(EA), eV:	-8.87(-0.18)
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-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3OC4=CC=CC=C4

DOS

IR

Vibrations