Geometry & MOs

Info

ID:	334302
PubChem CID:	127252854
Reduced:	N3O4C28H33 (1)
Stoich.:	A3B4C28D33 (1)
Weight, g/mol:	428.158351
ΔH_f, kcal/mol:	-112.89
Dipole, Da:	4.33
IP(EA), eV:	-8.04(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-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

CC(C)CN1C=C(C2=CC=CC=C21)CCNC(=O)CN3C=CC4=CC(=C(C=C4CC3=O)OC)OC

DOS

IR

Vibrations