Geometry & MOs

Info

ID:	334365
PubChem CID:	127252917
Reduced:	O8H20C27 (1)
Stoich.:	A8B20C27 (1)
Weight, g/mol:	389.077848
ΔH_f, kcal/mol:	-221.65
Dipole, Da:	6.57
IP(EA), eV:	-8.37(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C3=C4C(=C(C(=C3O2)O)O)C(=O)C=C(O4)C5=CC=CC=C5)CC(=O)OC

DOS

IR

Vibrations