Geometry & MOs

Info

ID:	174126
PubChem CID:	75727431
Reduced:	NO2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	432.262422
ΔH_f, kcal/mol:	-138.33
Dipole, Da:	5.6
IP(EA), eV:	-9.11(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-propylcyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCCCCC=CC(=O)N(CC1=CC=C(O1)C)C(C2=CC=CO2)C(=O)NCCCC

DOS

IR

Vibrations