Geometry & MOs

Info

ID:	335092
PubChem CID:	127253898
Reduced:	NO7H21C25 (1)
Stoich.:	AB7C21D25 (1)
Weight, g/mol:	398.147786
ΔH_f, kcal/mol:	-174.54
Dipole, Da:	3.0
IP(EA), eV:	-8.83(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-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

CC1=CC(=O)C2=C(O1)C(=C(O2)C3=CC=C(C=C3)OC)CC(=O)NCC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations