Geometry & MOs

Info

ID:	173927
PubChem CID:	75701795
Reduced:	NO2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	426.324629
ΔH_f, kcal/mol:	-171.5
Dipole, Da:	1.76
IP(EA), eV:	-8.94(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-[1-(cyclohexylamino)-1-oxo-3-phenylbutan-2-yl]pentanamide

Drug info:

PubChemData

Smile

CCC(=O)N(C1CCCCC1)C(C2=CC3=C(C=C2)OCO3)C(=O)NC4CCCCC4

DOS

IR

Vibrations