Geometry & MOs

Info

ID:	228535
PubChem CID:	87565241
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	-103.52
Dipole, Da:	0.97
IP(EA), eV:	-9.8(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-hydroxyhexyl)cyclohex-3-ene-1-carbaldehyde

Drug info:

PubChemData

Smile

CCCCCC1(CCC=CC1(C)O)C=O

DOS

IR

Vibrations