Geometry & MOs

Info

ID:	397581
PubChem CID:	135030418
Reduced:	ON2H14C20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	303.071785
ΔH_f, kcal/mol:	57.52
Dipole, Da:	3.2
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-3-thiophen-2-ylisoquinolin-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=CC3=CC=CC=C3C2=O)C4=CN=CC=C4

DOS

IR

Vibrations