Geometry & MOs

Info

ID:	429876
PubChem CID:	135169930
Reduced:	BrO2N3F4H10C12 (1)
Stoich.:	AB2C3D4E10F12 (1)
Weight, g/mol:	296.088495
ΔH_f, kcal/mol:	-222.01
Dipole, Da:	1.38
IP(EA), eV:	-9.31(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(aminomethylidene)-5,5,5-trifluoro-4-pyrazolo[1,5-a]pyridin-4-yliminopentan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1)C2C=CC(=C(N2)Br)F)C(F)(F)F

DOS

IR

Vibrations