Geometry & MOs

Info

ID:	232717
PubChem CID:	87576800
Reduced:	HfCl2C23H23 (1)
Stoich.:	AB2C23D23 (1)
Weight, g/mol:	194.048013
ΔH_f, kcal/mol:	-21.75
Dipole, Da:	5.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.303121
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzofuran-7-ylmethylidene)propanedinitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C([CH-]2)C(=C(C=C3)C)C4=CC=CC4.CC(=[Hf+2])C.[Cl-].[Cl-]

DOS

IR

Vibrations