Geometry & MOs

Info

ID:	389272
PubChem CID:	134991967
Reduced:	FeNOC29H31 (1)
Stoich.:	ABCD29E31 (1)
Weight, g/mol:	190.959064
ΔH_f, kcal/mol:	82.63
Dipole, Da:	7.12
IP(EA), eV:	-7.27(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetonitrile;copper(1+);tetrafluoroborate

Drug info:

PubChemData

Smile

CN(C)[C@@H]1CCC[C]2[C]1[C]([CH][CH]2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[CH]1[CH][CH][CH][CH]1.[Fe]

DOS

IR

Vibrations