Geometry & MOs

Info

ID:	1904
PubChem CID:	5305
Reduced:	N2O2C25H30 (1)
Stoich.:	A2B2C25D30 (1)
Weight, g/mol:	390.230728
ΔH_f, kcal/mol:	-41.29
Dipole, Da:	2.57
IP(EA), eV:	-8.98(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-N-(3-phenylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=C1O)C(C)C)C=C(C#N)C(=O)NCCCC2=CC=CC=C2

DOS

IR

Vibrations