Geometry & MOs

Info

ID:	255692
PubChem CID:	103134029
Reduced:	OSN3H7C12 (1)
Stoich.:	ABC3D7E12 (1)
Weight, g/mol:	281.085207
ΔH_f, kcal/mol:	82.04
Dipole, Da:	4.82
IP(EA), eV:	-9.57(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-3-methoxyphenyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(=O)C3=NSN=C3

DOS

IR

Vibrations