Geometry & MOs

Info

ID:	255694
PubChem CID:	103134035
Reduced:	NSO3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	263.094629
ΔH_f, kcal/mol:	-76.62
Dipole, Da:	7.02
IP(EA), eV:	-9.43(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

C1CCS(=O)(=O)C(C1)C(=O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations