Geometry & MOs

Info

ID:	22725
PubChem CID:	598413
Reduced:	ClO2H7C8 (1)
Stoich.:	AB2C7D8 (1)
Weight, g/mol:	170.013457
ΔH_f, kcal/mol:	-37.46
Dipole, Da:	1.81
IP(EA), eV:	-9.09(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxycyclohepta-2,4,6-trien-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=CC1=O)Cl

DOS

IR

Vibrations