Geometry & MOs

Info

ID:	334064
PubChem CID:	127252616
Reduced:	N4O5H24C25 (1)
Stoich.:	A4B5C24D25 (1)
Weight, g/mol:	423.038876
ΔH_f, kcal/mol:	-122.42
Dipole, Da:	4.93
IP(EA), eV:	-8.83(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-[(4-hydroxy-6-methyl-5-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(C3=C(O2)N=C4C=CC(=CC4=C3)OC)CC(=O)OC)C(=O)N1CCC5=CN=CN5

DOS

IR

Vibrations