Geometry & MOs

Info

ID:	78964
PubChem CID:	49742875
Reduced:	N3O4H19C21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-36.49
Dipole, Da:	6.35
IP(EA), eV:	-8.98(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-(2-oxo-4-propan-2-yl-1H-quinolin-7-yl)furan-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)NC2=C1C=CC(=C2)NC(=O)/C=C\C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations