Geometry & MOs

Info

ID:	427453
PubChem CID:	135159046
Reduced:	OF2N6H18C25 (1)
Stoich.:	AB2C6D18E25 (1)
Weight, g/mol:	416.157244
ΔH_f, kcal/mol:	108.31
Dipole, Da:	7.79
IP(EA), eV:	-8.16(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[5-(4-methylphenyl)-4-oxo-2-(2,2,2-trifluoroethyl)pyrazol-3-ylidene]-1,3,7,7a-tetrahydrobenzimidazole-5-carboximidamide

Drug info:

PubChemData

Smile

CN1C(=C2N=C3C=C4CNCC4=CC3=N2)C(=C(N1)C5=CC=C(C=C5)C6=CC(=CC(=C6)F)F)N=O

DOS

IR

Vibrations