Geometry & MOs

Info

ID:	182125
PubChem CID:	76849643
Reduced:	ClON2H7C8 (1)
Stoich.:	ABC2D7E8 (1)
Weight, g/mol:	878.23458
ΔH_f, kcal/mol:	-0.33
Dipole, Da:	2.67
IP(EA), eV:	-9.16(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

carbanide;(1Z,5Z)-cycloocta-1,5-diene;iridium;methyl(diphenyl)phosphanium;pentafluoro-lambda5-phosphane;fluoride

Drug info:

PubChemData

Smile

C1=CN2C(=NC=C2CO)C=C1Cl

DOS

IR

Vibrations