Geometry & MOs

Info

ID:	337817
PubChem CID:	127258440
Reduced:	PO4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	-186.37
Dipole, Da:	3.22
IP(EA), eV:	-9.28(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3E)-2,2-dimethylhepta-3,6-dien-3-yl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)O[C@@H](C1=CC=CC=C1)[P@@](=O)(C2=CC=CC=C2)OCC

DOS

IR

Vibrations