Geometry & MOs

Info

ID:	396534
PubChem CID:	135028680
Reduced:	NO2C20H37 (1)
Stoich.:	AB2C20D37 (1)
Weight, g/mol:	351.160121
ΔH_f, kcal/mol:	-128.86
Dipole, Da:	1.95
IP(EA), eV:	-9.64(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN(CC#C)C(=O)OC(C)(C)C

DOS

IR

Vibrations