Geometry & MOs

Info

ID:	204886
PubChem CID:	80025994
Reduced:	SN2C9H14 (1)
Stoich.:	AB2C9D14 (1)
Weight, g/mol:	192.118401
ΔH_f, kcal/mol:	29.2
Dipole, Da:	2.03
IP(EA), eV:	-8.77(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(2-propan-2-yloxyethoxy)propane-1-thiol

Drug info:

PubChemData

Smile

CN(CCS)CC1=CC=CC=N1

DOS

IR

Vibrations