Geometry & MOs

Info

ID:	313321
PubChem CID:	126613808
Reduced:	PO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	362.24571
ΔH_f, kcal/mol:	-177.42
Dipole, Da:	1.74
IP(EA), eV:	-9.22(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-6-(2,5-ditert-butyl-4-methoxyphenoxy)-2-methylhex-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)OP(OCC1=CC=CC=C1)OC(C)C

DOS

IR

Vibrations