Geometry & MOs

Info

ID:	192105
PubChem CID:	78229711
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-3.18
Dipole, Da:	11.91
IP(EA), eV:	-9.83(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CC1C=C2C=CC=CC2=NC1=O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations