Geometry & MOs

Info

ID:	334561
PubChem CID:	127253236
Reduced:	ClN2O6C28H29 (1)
Stoich.:	AB2C6D28E29 (1)
Weight, g/mol:	384.132136
ΔH_f, kcal/mol:	-167.98
Dipole, Da:	4.64
IP(EA), eV:	-8.24(-0.4)
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]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCCN4C=CC5=C4C=CC=C5OC

DOS

IR

Vibrations