Geometry & MOs

Info

ID:	80517
PubChem CID:	49834898
Reduced:	ClON7H22C23 (1)
Stoich.:	ABC7D22E23 (1)
Weight, g/mol:	443.206973
ΔH_f, kcal/mol:	75.91
Dipole, Da:	1.8
IP(EA), eV:	-8.6(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[6-(hydroxymethyl)-5-(methylamino)pyridin-3-yl]-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CCNC1=C(N=CC(=C1)C2=CC3=C4C(=CN=C3C=C2)N(C(=O)N4C5=CN(N=C5C)C)C)Cl

DOS

IR

Vibrations