Geometry & MOs

Info

ID:	43316
PubChem CID:	10321113
Reduced:	O2F3N6H17C21 (1)
Stoich.:	A2B3C6D17E21 (1)
Weight, g/mol:	442.144119
ΔH_f, kcal/mol:	-61.83
Dipole, Da:	10.47
IP(EA), eV:	-8.9(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-fluorophenyl)methyl]-9-hydroxy-N-methyl-8-oxo-N-pyridin-2-yl-6H-pyrrolo[3,4-g]quinoline-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(CN=C2C=CC(=C(N2O)CC(=O)NCC3=C(C=CC=N3)F)C#N)(F)F

DOS

IR

Vibrations