Geometry & MOs

Info

ID:	334808
PubChem CID:	127253483
Reduced:	ClN2O5H23C25 (1)
Stoich.:	AB2C5D23E25 (1)
Weight, g/mol:	360.168522
ΔH_f, kcal/mol:	-117.85
Dipole, Da:	7.03
IP(EA), eV:	-8.8(-0.52)
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]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC4=C5C=CNC5=CC=C4

DOS

IR

Vibrations