Geometry & MOs

Info

ID:	155179
PubChem CID:	56320928
Reduced:	IN2O3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	421.07501
ΔH_f, kcal/mol:	-50.97
Dipole, Da:	5.16
IP(EA), eV:	-8.76(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-butoxypropyl)-2-iodo-4,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)C1=CC(=C(C=C1I)OC)OC)C2=CC=CC=C2

DOS

IR

Vibrations