Geometry & MOs

Info

ID:	194326
PubChem CID:	78516643
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	322.131742
ΔH_f, kcal/mol:	-98.47
Dipole, Da:	1.07
IP(EA), eV:	-9.49(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxyethyliminomethyl)-2-(2-methylphenyl)-4H-isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=CC=C1)C(=O)CN2C(=O)C(NC2=O)(C)CCC3=CC=CC=C3

DOS

IR

Vibrations