Geometry & MOs

Info

ID:	84298
PubChem CID:	49865620
Reduced:	I2N2O3C24H30 (1)
Stoich.:	A2B2C3D24E30 (1)
Weight, g/mol:	396.241293
ΔH_f, kcal/mol:	-33.54
Dipole, Da:	6.0
IP(EA), eV:	-8.52(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations