Geometry & MOs

Info

ID:	203172
PubChem CID:	79789870
Reduced:	BrN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	350.99063
ΔH_f, kcal/mol:	-79.0
Dipole, Da:	9.74
IP(EA), eV:	-10.26(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC(C)(C(=O)O)NCC1=C(C=C(C=C1)[N+](=O)[O-])Br

DOS

IR

Vibrations