Geometry & MOs

Info

ID:	363051
PubChem CID:	127310082
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-131.99
Dipole, Da:	4.88
IP(EA), eV:	-8.97(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN1C(=O)CNC(=O)CC2CCC3=CC=CC=C3C2

DOS

IR

Vibrations