Geometry & MOs

Info

ID:	425058
PubChem CID:	135124997
Reduced:	FN2O5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	489.165269
ΔH_f, kcal/mol:	-113.83
Dipole, Da:	4.97
IP(EA), eV:	-9.54(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10aR)-4-(2-fluorophenyl)-2-(8-fluoroquinolin-4-yl)-7,10a-dimethyl-8-oxo-5,6-dihydrophenanthridine-9-carbonitrile

Drug info:

PubChemData

Smile

C1CC(C1)OC2=NC=CC(=C2)C3(CC(C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])F

DOS

IR

Vibrations