Geometry & MOs

Info

ID:	335120
PubChem CID:	127253981
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	424.127051
ΔH_f, kcal/mol:	-3.24
Dipole, Da:	4.77
IP(EA), eV:	-8.47(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCCCCN3C=CC=C3

DOS

IR

Vibrations