Geometry & MOs

Info

ID:	387777
PubChem CID:	134986893
Reduced:	NSH15C16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	65.16
Dipole, Da:	2.64
IP(EA), eV:	-8.07(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,7-trimethyl-5,8-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

C=CC1C(SC2=CC=CC=C2N1)C3=CC=CC=C3

DOS

IR

Vibrations