Geometry & MOs

Info

ID:	328808
PubChem CID:	126727996
Reduced:	NOH8C12 (4)
Stoich.:	ABC8D12 (4)
Weight, g/mol:	182.167065
ΔH_f, kcal/mol:	184.88
Dipole, Da:	6.01
IP(EA), eV:	-7.97(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hexylcyclohex-3-en-1-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)OC)C4=CC=C(C=C4)C#CC(=C(C#N)C#N)C#CC5=CC=C(C=C5)N6C7=C(C=C(C=C7)OC)C8=C6C=CC(=C8)OC

DOS

IR

Vibrations