Geometry & MOs

Info

ID:	185292
PubChem CID:	77281891
Reduced:	OF2N6H20C21 (1)
Stoich.:	AB2C6D20E21 (1)
Weight, g/mol:	435.218287
ΔH_f, kcal/mol:	-25.15
Dipole, Da:	6.26
IP(EA), eV:	-8.42(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-7-(dimethylamino)-6-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-quinolin-2-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4C(=C5C=C(C(=CC5=NC4=O)F)F)N

DOS

IR

Vibrations