Geometry & MOs

Info

ID:	334549
PubChem CID:	127253224
Reduced:	N3O3H19C22 (1)
Stoich.:	A3B3C19D22 (1)
Weight, g/mol:	433.02733
ΔH_f, kcal/mol:	-54.86
Dipole, Da:	4.88
IP(EA), eV:	-8.2(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-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

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CC=C(C=C5)O

DOS

IR

Vibrations