Geometry & MOs

Info

ID:	137026
PubChem CID:	52140567
Reduced:	ON2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	180.097272
ΔH_f, kcal/mol:	-12.54
Dipole, Da:	6.72
IP(EA), eV:	-8.78(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(propylsulfanylmethyl)benzene

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(=O)NC2=NOC=C2

DOS

IR

Vibrations