Geometry & MOs

Info

ID:	397315
PubChem CID:	135030029
Reduced:	F3O3H13C18 (1)
Stoich.:	A3B3C13D18 (1)
Weight, g/mol:	300.154787
ΔH_f, kcal/mol:	-205.72
Dipole, Da:	1.32
IP(EA), eV:	-9.82(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-butoxy-2-phenylethyl)sulfanyl-4-methylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(=O)OC(C(=O)C2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations