Geometry & MOs

Info

ID:	18259
PubChem CID:	539236
Reduced:	O3C17H18 (1)
Stoich.:	A3B17C18 (1)
Weight, g/mol:	270.125594
ΔH_f, kcal/mol:	-98.93
Dipole, Da:	3.62
IP(EA), eV:	-9.43(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-2-phenylpropyl) 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OCC(C)(C2=CC=CC=C2)O

DOS

IR

Vibrations