Geometry & MOs

Info

ID:	166531
PubChem CID:	74704337
Reduced:	NO6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	-231.12
Dipole, Da:	9.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756462
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(dimethylamino)phenyl]-2,7-dimethyl-N-(5-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC(C(C)C)C(=O)[O-]

DOS

IR

Vibrations