Geometry & MOs

Info

ID:	21280
PubChem CID:	587831
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-98.12
Dipole, Da:	6.45
IP(EA), eV:	-9.1(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-3-methoxycyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CCCCC1=C(CCCC1=O)OC

DOS

IR

Vibrations