Geometry & MOs

Info

ID:	50708
PubChem CID:	12013287
Reduced:	SN2O2H10C12 (1)
Stoich.:	AB2C2D10E12 (1)
Weight, g/mol:	263.050177
ΔH_f, kcal/mol:	25.66
Dipole, Da:	6.31
IP(EA), eV:	-8.52(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-8-(2-phenylethynyl)cyclohepta[b]pyrrole

Drug info:

PubChemData

Smile

CS(=O)(=O)N1C=CC2=C1N=C3C2=CC=CC=C3

DOS

IR

Vibrations