Geometry & MOs

Info

ID:	149374
PubChem CID:	53789046
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	152.120115
ΔH_f, kcal/mol:	-130.0
Dipole, Da:	4.6
IP(EA), eV:	-9.37(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butoxycyclohexa-1,3-diene

Drug info:

PubChemData

Smile

CCC(C)(COC1=CC=C(C=C1)Cl)C(=O)O

DOS

IR

Vibrations