Geometry & MOs

Info

ID:	67152
PubChem CID:	46505963
Reduced:	N3O6C20H25 (1)
Stoich.:	A3B6C20D25 (1)
Weight, g/mol:	413.1223
ΔH_f, kcal/mol:	-220.21
Dipole, Da:	4.77
IP(EA), eV:	-8.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC(=C(C=C32)OC)OC)C

DOS

IR

Vibrations