Geometry & MOs

Info

ID:	334842
PubChem CID:	127253648
Reduced:	ClN2O5H21C25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	362.147786
ΔH_f, kcal/mol:	-108.66
Dipole, Da:	7.11
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=CC5=C4C=CC=N5

DOS

IR

Vibrations