Geometry & MOs

Info

ID:	398244
PubChem CID:	135032458
Reduced:	NO2F3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	293.141579
ΔH_f, kcal/mol:	-204.11
Dipole, Da:	4.77
IP(EA), eV:	-9.99(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4-ethyl-4-methylisoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=CC=C1)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations