Geometry & MOs

Info

ID:	80014
PubChem CID:	49832228
Reduced:	ON7H27C28 (1)
Stoich.:	AB7C27D28 (1)
Weight, g/mol:	488.188464
ΔH_f, kcal/mol:	106.23
Dipole, Da:	5.16
IP(EA), eV:	-8.53(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(3,3-difluoroazetidin-1-yl)-2-methylpyridin-3-yl]-3-methyl-8-[2-(methylamino)pyrimidin-5-yl]imidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)N2CCC2)N3C4=C5C=C(C=CC5=NC=C4N(C3=O)C)C6=CC(=CN=C6)N7CCC7

DOS

IR

Vibrations