Geometry & MOs

Info

ID:	84296
PubChem CID:	49865612
Reduced:	O3N5C29H37 (1)
Stoich.:	A3B5C29D37 (1)
Weight, g/mol:	522.13794
ΔH_f, kcal/mol:	-54.73
Dipole, Da:	3.11
IP(EA), eV:	-8.37(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCCOC2=CC3=C(C=C2)N=C(N(C3=O)CC(=O)NCC4CC4)C5=CC=CC=C5

DOS

IR

Vibrations