Geometry & MOs

Info

ID:	349180
PubChem CID:	127274906
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	383.257277
ΔH_f, kcal/mol:	-87.17
Dipole, Da:	1.79
IP(EA), eV:	-8.91(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1CC2CCC1C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations