Geometry & MOs

Info

ID:	339586
PubChem CID:	127261576
Reduced:	O2C23H30 (1)
Stoich.:	A2B23C30 (1)
Weight, g/mol:	326.24571
ΔH_f, kcal/mol:	-85.5
Dipole, Da:	2.18
IP(EA), eV:	-8.92(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-4-pentanoyloxycyclohexyl) hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC1=C(C=C(C=C1)C(C)(C)C2=CC=CC=C2)CC

DOS

IR

Vibrations