Geometry & MOs

Info

ID:	334190
PubChem CID:	127252742
Reduced:	N2O5H18C26 (1)
Stoich.:	A2B5C18D26 (1)
Weight, g/mol:	348.132136
ΔH_f, kcal/mol:	-108.57
Dipole, Da:	4.59
IP(EA), eV:	-9.05(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)C5=CC=C(C=C5)C(=O)NCCC(=O)O

DOS

IR

Vibrations