Geometry & MOs

Info

ID:	402637
PubChem CID:	135056659
Reduced:	O2C15H18 (1)
Stoich.:	A2B15C18 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-43.27
Dipole, Da:	2.44
IP(EA), eV:	-8.71(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (3S)-3-hydroxy-2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C)COC(C1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations