Geometry & MOs

Info

ID:	406296
PubChem CID:	135077135
Reduced:	CrNO6C21H21 (1)
Stoich.:	ABC6D21E21 (1)
Weight, g/mol:	295.102819
ΔH_f, kcal/mol:	-167.19
Dipole, Da:	5.05
IP(EA), eV:	-8.17(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium

Drug info:

PubChemData

Smile

CC1(N([C@@H](CO1)C2=CC=CC=C2)C(=[Cr])CCC=C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations