Geometry & MOs

Info

ID:	80013
PubChem CID:	49832227
Reduced:	N5O5C28H29 (1)
Stoich.:	A5B5C28D29 (1)
Weight, g/mol:	477.227709
ΔH_f, kcal/mol:	-83.01
Dipole, Da:	3.79
IP(EA), eV:	-8.76(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)OCCOC)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC(=C(N=C5)COC)OC

DOS

IR

Vibrations