Geometry & MOs

Info

ID:	2791
PubChem CID:	8564
Reduced:	NO8C23H27 (1)
Stoich.:	AB8C23D27 (1)
Weight, g/mol:	445.173667
ΔH_f, kcal/mol:	-257.69
Dipole, Da:	5.81
IP(EA), eV:	-8.19(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid

Drug info:

PubChemData

Smile

CN(C)CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2

DOS

IR

Vibrations