Geometry & MOs

Info

ID:	337990
PubChem CID:	127258613
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-156.28
Dipole, Da:	2.34
IP(EA), eV:	-8.79(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylcyclohex-2-en-1-yl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC1=CC2=C(C=C1)OC(O2)C

DOS

IR

Vibrations