Geometry & MOs

Info

ID:	359367
PubChem CID:	127298502
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	389.304228
ΔH_f, kcal/mol:	-56.59
Dipole, Da:	3.56
IP(EA), eV:	-9.43(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclopentylacetamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCC(CC2)NC(=O)CC3CCCC3

DOS

IR

Vibrations