Geometry & MOs

Info

ID:	399920
PubChem CID:	135043806
Reduced:	SC16H20 (1)
Stoich.:	AB16C20 (1)
Weight, g/mol:	267.089543
ΔH_f, kcal/mol:	14.73
Dipole, Da:	0.79
IP(EA), eV:	-8.92(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyano-2-hydroxy-1-phenylethyl) benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(C)(C)CCC2=CC=CC=C2

DOS

IR

Vibrations