Geometry & MOs

Info

ID:	141820
PubChem CID:	52933560
Reduced:	ClFO2N4H14C21 (1)
Stoich.:	ABC2D4E14F21 (1)
Weight, g/mol:	414.180424
ΔH_f, kcal/mol:	-2.69
Dipole, Da:	0.52
IP(EA), eV:	-8.89(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=NC=C4C(=C3C=C2)N(C(=O)N4)C5=C(C=CC(=C5)Cl)F

DOS

IR

Vibrations