Geometry & MOs

Info

ID:

429812

PubChem CID:

135169865

Reduced:

OF2N8C31H36 (1)

Stoich.:

AB2C8D31E36 (1)

Weight, g/mol:

475.088368

ΔHf, kcal/mol:

22.69

Dipole, Da:

9.12

IP(EA), eV:

 -8.6(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-4,4,4-trifluoro-3-pyrrolo[1,2-a]pyrazin-1-yliminobutanamide

Drug info:

PubChemData

Smile

C/C=C(\C=C(/CN1N=CC=N1)\C(C)C)/NC(=O)/C(=C/N)/C(=NC2=CN=C(C3=CC=CC=C32)C4CN(C4)C=C)C(C)(F)F

DOS

IR

Vibrations