Geometry & MOs

Info

ID:	152047
PubChem CID:	56310898
Reduced:	O2N3C23H35 (1)
Stoich.:	A2B3C23D35 (1)
Weight, g/mol:	415.225977
ΔH_f, kcal/mol:	-94.7
Dipole, Da:	5.77
IP(EA), eV:	-8.89(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCCCN1C(=O)C(C)N2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations