Geometry & MOs

Info

ID:	310784
PubChem CID:	126587512
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-52.03
Dipole, Da:	7.64
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(cyclohexylamino)methyl]-6-(1,5-dimethyl-6-oxopyridin-3-yl)-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CN(C1=O)C)C2=CC(=C(C(=C2)[N+](=O)[O-])NC)CCC=O

DOS

IR

Vibrations