Geometry & MOs

Info

ID:	125305
PubChem CID:	50918964
Reduced:	NC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	813.89042
ΔH_f, kcal/mol:	67.37
Dipole, Da:	0.72
IP(EA), eV:	-8.96(0.56)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

benzenethiolate;carbon monoxide;rhenium

Drug info:

PubChemData

Smile

C1CN1CCNCC2C=CC=C2

DOS

IR

Vibrations