Geometry & MOs

Info

ID:	429875
PubChem CID:	135169929
Reduced:	OSI2N5H9C13 (1)
Stoich.:	ABC2D5E9F13 (1)
Weight, g/mol:	382.98925
ΔH_f, kcal/mol:	94.17
Dipole, Da:	2.23
IP(EA), eV:	-9.47(-3.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(6-bromo-5-fluoro-1,2-dihydropyridin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=C(C=NC2=C1C(=CN2SI)I)C(=O)NCC3=CN=CN=C3

DOS

IR

Vibrations