Geometry & MOs

Info

ID:

80015

PubChem CID:

49832229

Reduced:

OF2N8H22C25 (1)

Stoich.:

AB2C8D22E25 (1)

Weight, g/mol:

531.219429

ΔHf, kcal/mol:

0.62

Dipole, Da:

2.06

IP(EA), eV:

 -8.7(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-(3,3-difluoroazetidin-1-yl)-2-methylpyridin-3-yl]-8-[5-(ethylamino)-6-(hydroxymethyl)pyridin-3-yl]-3-methylimidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)N2CC(C2)(F)F)N3C4=C5C=C(C=CC5=NC=C4N(C3=O)C)C6=CN=C(N=C6)NC

DOS

IR

Vibrations