Geometry & MOs

Info

ID:	197010
PubChem CID:	78909260
Reduced:	N2O2C11H20 (1)
Stoich.:	A2B2C11D20 (1)
Weight, g/mol:	168.060886
ΔH_f, kcal/mol:	-95.72
Dipole, Da:	0.66
IP(EA), eV:	-9.01(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenoxy)ethanethiol

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC)NC1=NCCC1

DOS

IR

Vibrations