Geometry & MOs

Info

ID:	39848
PubChem CID:	8142565
Reduced:	NO4C17H27 (1)
Stoich.:	AB4C17D27 (1)
Weight, g/mol:	388.26136
ΔH_f, kcal/mol:	-186.06
Dipole, Da:	2.66
IP(EA), eV:	-8.69(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-heptanoyloxyphenyl) 4-butylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)CCOC(=O)C1=C(C=C(C=C1)OCC(C)C)O

DOS

IR

Vibrations