Geometry & MOs

Info

ID:	48078
PubChem CID:	10537022
Reduced:	SN2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	222.198365
ΔH_f, kcal/mol:	16.44
Dipole, Da:	2.28
IP(EA), eV:	-8.63(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1-cyclohexyl-2-ethynylheptan-1-ol

Drug info:

PubChemData

Smile

CCSC(=NC1=CC=CC=C1C(C)C)N

DOS

IR

Vibrations