Geometry & MOs

Info

ID:	408827
PubChem CID:	135081597
Reduced:	FeCl2N3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	348.187801
ΔH_f, kcal/mol:	-112.22
Dipole, Da:	8.83
IP(EA), eV:	-8.79(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,3-bis(1-phenylethylidene)cyclopropylidene]ethylbenzene

Drug info:

PubChemData

Smile

CC(C)N=C(C)C1=NC(=CC=C1)C(=NC(C)C)C.Cl[Fe]Cl

DOS

IR

Vibrations