Geometry & MOs

Info

ID:	192112
PubChem CID:	78230013
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-118.9
Dipole, Da:	6.94
IP(EA), eV:	-9.06(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-methoxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1CCC2CC(C(=O)NC2C1)CN(C3=CC=CC=C3OC)C(=O)C4=CC=CC=N4

DOS

IR

Vibrations