Geometry & MOs

Info

ID:	152563
PubChem CID:	56311520
Reduced:	ClO3N4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	459.252192
ΔH_f, kcal/mol:	-74.24
Dipole, Da:	3.49
IP(EA), eV:	-9.08(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NNC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations