Geometry & MOs

Info

ID:	80571
PubChem CID:	49835196
Reduced:	O3N7C27H29 (1)
Stoich.:	A3B7C27D29 (1)
Weight, g/mol:	433.141786
ΔH_f, kcal/mol:	-14.03
Dipole, Da:	3.11
IP(EA), eV:	-8.52(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-1-methylpyrazol-4-yl)-8-[6-(dimethylamino)pyridin-3-yl]-3-methylimidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CCOC1=NC=C(C=C1)C2=CC3=C4C(=CN=C3C=C2)N(C(=O)N4C5=C(N(N=C5C)CC(=O)N(C)C)C)C

DOS

IR

Vibrations