Geometry & MOs

Info

ID:	84297
PubChem CID:	49865619
Reduced:	IN2O3C24H31 (1)
Stoich.:	AB2C3D24E31 (1)
Weight, g/mol:	648.03459
ΔH_f, kcal/mol:	-53.47
Dipole, Da:	4.57
IP(EA), eV:	-8.43(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-5-[(4-hydroxy-3,5-diiodophenyl)methyl-methylamino]-2-propan-2-ylpentanenitrile

Drug info:

PubChemData

Smile

CC(C)C(CCCN(C)CC1=CC(=C(C=C1)O)I)(C#N)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations