Geometry & MOs

Info

ID:	23523
PubChem CID:	604351
Reduced:	CrC14H21 (1)
Stoich.:	AB14C21 (1)
Weight, g/mol:	241.104831
ΔH_f, kcal/mol:	193.27
Dipole, Da:	0.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 4.648501
Charge, e:	-9

Chem-info

IUPAC name:

butane;chromium;1,2,3,4,5-pentamethylcyclopentane

Drug info:

PubChemData

Smile

C[C-]1[C-]([C-]([C-]([C-]1C)C)C)C.[CH2-][CH-][CH-][CH2-].[Cr]

DOS

IR

Vibrations