Geometry & MOs

Info

ID:	185291
PubChem CID:	77281819
Reduced:	FO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	410.166666
ΔH_f, kcal/mol:	-49.96
Dipole, Da:	7.53
IP(EA), eV:	-8.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(C2NC(=CC(=O)N2N1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)F

DOS

IR

Vibrations