Geometry & MOs

Info

ID:	382515
PubChem CID:	134973725
Reduced:	CrO2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	380.090529
ΔH_f, kcal/mol:	-56.93
Dipole, Da:	3.37
IP(EA), eV:	-7.6(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethyl trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C(=[Cr])OC(C)C)C)O

DOS

IR

Vibrations