Geometry & MOs

Info

ID:	379522
PubChem CID:	134439885
Reduced:	ClO2F3N7H25C26 (1)
Stoich.:	AB2C3D7E25F26 (1)
Weight, g/mol:	391.192072
ΔH_f, kcal/mol:	-83.7
Dipole, Da:	7.09
IP(EA), eV:	-8.94(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z,6E,8Z)-7-(3,5-dimethylpyrazol-1-yl)-2-ethyl-3-(4-fluorophenyl)-10H-pyrazolo[5,1-b][1,3,6]triazonin-5-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=NN1/C/2=C/C(=N/C3=C(C/C=N2)C(=NN3CC4CC4)C5=CC=C(C=C5)C(F)(F)F)/N)C)Cl

DOS

IR

Vibrations