Geometry & MOs

Info

ID:	182991
PubChem CID:	76966830
Reduced:	C13H20 (2)
Stoich.:	A13B20 (2)
Weight, g/mol:	371.246044
ΔH_f, kcal/mol:	-43.43
Dipole, Da:	0.71
IP(EA), eV:	-8.74(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[ethyl(propyl)amino]but-2-ynyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC[C@@H](C)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations