Geometry & MOs

Info

ID:	371612
PubChem CID:	131269096
Reduced:	N4O5C13H20 (1)
Stoich.:	A4B5C13D20 (1)
Weight, g/mol:	341.85256
ΔH_f, kcal/mol:	-189.53
Dipole, Da:	6.2
IP(EA), eV:	-9.88(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dibromo-4,6-difluorophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C2=NC(=NN2)C(=O)O)C(=O)OC(C)(C)C

DOS

IR

Vibrations