Geometry & MOs

Info

ID:

412311

PubChem CID:

135085196

Reduced:

ClNC8H9 (1)

Stoich.:

ABC8D9 (1)

Weight, g/mol:

188.065972

ΔHf, kcal/mol:

14.66

Dipole, Da:

3.87

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.079762

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-methylprop-1-enylsulfanyl)ethynylbenzene

Drug info:

PubChemData

Smile

CC(=[NH2+])C1=CC=C(C=C1)Cl

DOS

IR

Vibrations