Geometry & MOs

Info

ID:	354431
PubChem CID:	127286875
Reduced:	OSN5C18H31 (1)
Stoich.:	ABC5D18E31 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-34.04
Dipole, Da:	3.28
IP(EA), eV:	-8.6(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1CCN2CCN(CC2)C(=O)NCC3=CN=C(S3)C)C

DOS

IR

Vibrations