Geometry & MOs

Info

ID:	338874
PubChem CID:	127259885
Reduced:	FNSO5H10C13 (1)
Stoich.:	ABCD5E10F13 (1)
Weight, g/mol:	266.13068
ΔH_f, kcal/mol:	-122.7
Dipole, Da:	4.75
IP(EA), eV:	-9.86(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(2-methylprop-1-enyl)benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)OC2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations