Geometry & MOs

Info

ID:	412172
PubChem CID:	135085046
Reduced:	N3C10H11 (1)
Stoich.:	A3B10C11 (1)
Weight, g/mol:	214.081622
ΔH_f, kcal/mol:	66.08
Dipole, Da:	2.91
IP(EA), eV:	-8.88(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexen-1-ylsulfanyl)ethynylbenzene

Drug info:

PubChemData

Smile

CCC1=CC=CN1C2=NC=CC=N2

DOS

IR

Vibrations