Geometry & MOs

Info

ID:	444863
PubChem CID:	135263770
Reduced:	FBr2O3H5C8 (1)
Stoich.:	AB2C3D5E8 (1)
Weight, g/mol:	261.112995
ΔH_f, kcal/mol:	-125.53
Dipole, Da:	5.0
IP(EA), eV:	-9.84(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2H-pyridin-1-yl)ethyl hydrogen phosphate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1Br)Br)C(=O)O)F

DOS

IR

Vibrations