Geometry & MOs

Info

ID:	400289
PubChem CID:	135047286
Reduced:	CrO6H14C18 (1)
Stoich.:	AB6C14D18 (1)
Weight, g/mol:	349.988243
ΔH_f, kcal/mol:	31.97
Dipole, Da:	3.43
IP(EA), eV:	-7.4(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[but-3-ynoxy(phenyl)methylidene]chromium;carbon monoxide

Drug info:

PubChemData

Smile

CC#CCCCOC(=[Cr])C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations