Geometry & MOs

Info

ID:	324346
PubChem CID:	126677479
Reduced:	F3N6H15C22 (1)
Stoich.:	A3B6C15D22 (1)
Weight, g/mol:	164.065972
ΔH_f, kcal/mol:	-0.41
Dipole, Da:	3.74
IP(EA), eV:	-9.12(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(4-methylphenyl)prop-1-ene-1-thiol

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=NN3C=CC=C3C(=N2)NC4=C5C=C(C=CC5=NC=C4)C(F)(F)F

DOS

IR

Vibrations