Geometry & MOs

Info

ID:	380043
PubChem CID:	134964525
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	239.132157
ΔH_f, kcal/mol:	-136.17
Dipole, Da:	0.17
IP(EA), eV:	-9.39(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(3-fluoropyridin-2-yl)-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2CC2(C(=O)OC)C(=O)OC

DOS

IR

Vibrations