Geometry & MOs

Info

ID:	285063
PubChem CID:	104094637
Reduced:	SO2C10H14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	-69.73
Dipole, Da:	5.08
IP(EA), eV:	-9.48(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methylamino)-1-pent-4-ynylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C#CCCCC1(CCCS1)C(=O)O

DOS

IR

Vibrations