Geometry & MOs

Info

ID:	334404
PubChem CID:	127252956
Reduced:	N4O5H22C26 (1)
Stoich.:	A4B5C22D26 (1)
Weight, g/mol:	426.179087
ΔH_f, kcal/mol:	-127.73
Dipole, Da:	6.02
IP(EA), eV:	-8.86(-1.54)
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]-4-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N(C1=O)C)CNC(=O)CCN2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53

DOS

IR

Vibrations