Geometry & MOs

Info

ID:	390315
PubChem CID:	134998453
Reduced:	CrO5H14C21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	270.125594
ΔH_f, kcal/mol:	-22.29
Dipole, Da:	2.41
IP(EA), eV:	-6.7(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxy-6-methylphenyl)phenyl]methyl acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1C2=CC=CC3=CC=CC=C32)C=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations