Geometry & MOs

Info

ID:	199830
PubChem CID:	79303558
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	290.188195
ΔH_f, kcal/mol:	-56.1
Dipole, Da:	1.61
IP(EA), eV:	-7.97(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxy-2-(4-phenylcyclohexyl)butanoate

Drug info:

PubChemData

Smile

CN1CCCC1CN(C)CC2=CC3=C(C=C2N)OCCO3

DOS

IR

Vibrations