Geometry & MOs

Info

ID:	387778
PubChem CID:	134986897
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-36.25
Dipole, Da:	3.57
IP(EA), eV:	-8.63(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-2-propan-2-ylisoquinolin-1-one

Drug info:

PubChemData

Smile

CC1=C(CC2=C(C1)C=CN(C2=O)C)C

DOS

IR

Vibrations