Geometry & MOs

Info

ID:	67185
PubChem CID:	46506023
Reduced:	N4O5C20H24 (1)
Stoich.:	A4B5C20D24 (1)
Weight, g/mol:	427.13795
ΔH_f, kcal/mol:	-187.08
Dipole, Da:	3.04
IP(EA), eV:	-8.94(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)-1-oxoisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O

DOS

IR

Vibrations