Geometry & MOs

Info

ID:	84299
PubChem CID:	49865621
Reduced:	N2O3C24H32 (1)
Stoich.:	A2B3C24D32 (1)
Weight, g/mol:	522.13794
ΔH_f, kcal/mol:	-73.07
Dipole, Da:	5.61
IP(EA), eV:	-8.54(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-5-[2-(4-hydroxy-3-iodophenyl)ethylamino]-2-propan-2-ylpentanenitrile

Drug info:

PubChemData

Smile

CC(C)C(CCCNCCC1=CC=C(C=C1)O)(C#N)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations