Geometry & MOs

Info

ID:	375801
PubChem CID:	134221791
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	174.144222
ΔH_f, kcal/mol:	-49.07
Dipole, Da:	3.99
IP(EA), eV:	-8.12(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4,5-dimethylhexane-3-thiol

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)C(=O)CO/C(=C/C=C(C)C)/CC

DOS

IR

Vibrations