Geometry & MOs

Info

ID:	447212
PubChem CID:	135281209
Reduced:	BrClF2O3H8C10 (1)
Stoich.:	ABC2D3E8F10 (1)
Weight, g/mol:	542.02178
ΔH_f, kcal/mol:	-200.15
Dipole, Da:	4.67
IP(EA), eV:	-9.1(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5-chloro-2,4-dimethoxyphenyl)-3-iodoimidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)OC(F)F)[C@@H](C=O)Br)Cl

DOS

IR

Vibrations