Geometry & MOs

Info

ID:	80515
PubChem CID:	49834895
Reduced:	SN3O4C25H31 (1)
Stoich.:	AB3C4D25E31 (1)
Weight, g/mol:	447.157436
ΔH_f, kcal/mol:	-119.36
Dipole, Da:	8.17
IP(EA), eV:	-8.34(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(5-amino-6-chloropyridin-3-yl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1)C2=CC(=C(C3=C2N=CC(=C3)/C=C/CCNS(=O)(=O)C)OC)C(C)(C)C

DOS

IR

Vibrations