Geometry & MOs

Info

ID:	398444
PubChem CID:	135033339
Reduced:	NO6C18H21 (1)
Stoich.:	AB6C18D21 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-201.72
Dipole, Da:	2.88
IP(EA), eV:	-8.98(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2,4,7-trimethylisoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1C[C@@H]2[C@@H](O2)C(=O)[C@@H]1C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations