Geometry & MOs

Info

ID:	397580
PubChem CID:	135030417
Reduced:	FNO2H16C22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	298.110613
ΔH_f, kcal/mol:	-41.13
Dipole, Da:	6.71
IP(EA), eV:	-8.69(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-3-pyridin-3-ylisoquinolin-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)F)C(=O)N2C4=CC=CC=C4

DOS

IR

Vibrations