Geometry & MOs

Info

ID:	315728
PubChem CID:	126628626
Reduced:	NC10H15 (1)
Stoich.:	AB10C15 (1)
Weight, g/mol:	329.14495
ΔH_f, kcal/mol:	31.64
Dipole, Da:	2.5
IP(EA), eV:	-7.98(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-9-methoxy-3,5,5-trimethyl-6H-benzo[f]isoquinolin-4-one

Drug info:

PubChemData

Smile

CC1(C(=C)C=C(N1C)C=C)C

DOS

IR

Vibrations