Geometry & MOs

Info

ID:	380077
PubChem CID:	134964894
Reduced:	OH12C15 (1)
Stoich.:	AB12C15 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	53.6
Dipole, Da:	2.23
IP(EA), eV:	-9.69(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-ethyl-3-hex-1-ynylcyclohexan-1-one

Drug info:

PubChemData

Smile

C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)[18OH]

DOS

IR

Vibrations