Geometry & MOs

Info

ID:	232573
PubChem CID:	87576447
Reduced:	BrO2C5H9 (1)
Stoich.:	AB2C5D9 (1)
Weight, g/mol:	480.023543
ΔH_f, kcal/mol:	-86.26
Dipole, Da:	4.68
IP(EA), eV:	-11.08(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-chloro-2-[[2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-3-carbonyl]amino]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C.C(/C=C/C(=O)O)Br

DOS

IR

Vibrations