Geometry & MOs

Info

ID:

80094

PubChem CID:

49832896

Reduced:

ON6H20C23 (1)

Stoich.:

AB6C20D23 (1)

Weight, g/mol:

549.210008

ΔHf, kcal/mol:

79.0

Dipole, Da:

2.86

IP(EA), eV:

 -8.6(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridin-3-yl]-3-methyl-8-[6-(methylamino)-5-(trifluoromethyl)pyridin-3-yl]imidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CN=C(C=C5)NC

DOS

IR

Vibrations