Geometry & MOs

Info

ID:	425710
PubChem CID:	135127510
Reduced:	NC11H19 (1)
Stoich.:	AB11C19 (1)
Weight, g/mol:	180.097272
ΔH_f, kcal/mol:	1.12
Dipole, Da:	2.11
IP(EA), eV:	-9.21(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-propan-2-ylphenyl)ethanethiol

Drug info:

PubChemData

Smile

C=C/C=C/CC1CCC(CC1)N

DOS

IR

Vibrations