Geometry & MOs

Info

ID:	389072
PubChem CID:	134991075
Reduced:	S2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	172.065493
ΔH_f, kcal/mol:	-19.81
Dipole, Da:	2.47
IP(EA), eV:	-8.49(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6R)-6-chloro-1,4-dimethylcyclohex-3-ene-1-carbaldehyde

Drug info:

PubChemData

Smile

CCC/C(=C/CC1SCCCS1)/C

DOS

IR

Vibrations