Geometry & MOs

Info

ID:	216071
PubChem CID:	85085668
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-106.56
Dipole, Da:	3.6
IP(EA), eV:	-9.61(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-2-methylpropyl) 3-phenylpropanoate

Drug info:

PubChemData

Smile

CCC=C1CC2C(C=C1C=O)OC(O2)(C)C

DOS

IR

Vibrations