Geometry & MOs

Info

ID:	26218
PubChem CID:	641147
Reduced:	ClOC3H4 (2)
Stoich.:	ABC3D4 (2)
Weight, g/mol:	162.023628
ΔH_f, kcal/mol:	-101.49
Dipole, Da:	1.23
IP(EA), eV:	-10.02(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloroazulene

Drug info:

PubChemData

Smile

C/C(=C(\C(=O)OC)/Cl)/CCl

DOS

IR

Vibrations