Geometry & MOs

Info

ID:	174134
PubChem CID:	75728522
Reduced:	N2O4C29H36 (1)
Stoich.:	A2B4C29D36 (1)
Weight, g/mol:	458.350843
ΔH_f, kcal/mol:	-120.52
Dipole, Da:	4.86
IP(EA), eV:	-8.66(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-[1-(2-hydroxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCN(C(C1=C(C=CC2=CC=CC=C21)OC)C(=O)NC(C)(C)C)C(=O)C(C3=CC=CC=C3)OC

DOS

IR

Vibrations