Geometry & MOs

Info

ID:	67151
PubChem CID:	46505962
Reduced:	N4O6C23H24 (1)
Stoich.:	A4B6C23D24 (1)
Weight, g/mol:	403.174336
ΔH_f, kcal/mol:	-105.02
Dipole, Da:	5.72
IP(EA), eV:	-8.7(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carbonyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations