Geometry & MOs

Info

ID:	400349
PubChem CID:	135047638
Reduced:	CrO5C17H20 (1)
Stoich.:	AB5C17D20 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-34.22
Dipole, Da:	2.44
IP(EA), eV:	-8.09(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(R)-methoxy-[(E)-pent-3-enoxy]methyl]-2-methylbenzene

Drug info:

PubChemData

Smile

C/C=C/CCO[C@H](C1=CC=CC=C1C)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations