Geometry & MOs

Info

ID:	334943
PubChem CID:	127253749
Reduced:	N2O6H14C19 (1)
Stoich.:	A2B6C14D19 (1)
Weight, g/mol:	422.108956
ΔH_f, kcal/mol:	-170.18
Dipole, Da:	7.21
IP(EA), eV:	-8.58(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(NC(=O)N2)C3=C(C4=CC=CC=C4OC3=O)O)O

DOS

IR

Vibrations