Geometry & MOs

Info

ID:	387815
PubChem CID:	134987029
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	175.099714
ΔH_f, kcal/mol:	-50.02
Dipole, Da:	10.45
IP(EA), eV:	-8.42(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-dimethyl-5,8-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

CCC1=CC2=CC(=O)C=C(C2=CN1)O

DOS

IR

Vibrations