Geometry & MOs

Info

ID:	216227
PubChem CID:	85085921
Reduced:	NOC16H21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	242.043522
ΔH_f, kcal/mol:	-18.16
Dipole, Da:	2.3
IP(EA), eV:	-8.66(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(3-methylsulfanylprop-2-enylsulfonyl)benzene

Drug info:

PubChemData

Smile

C1CC2C(C=C1)C(CN2CC3=CC=CC=C3)CO

DOS

IR

Vibrations