Geometry & MOs

Info

ID:

429765

PubChem CID:

135169817

Reduced:

N5H7C9 (1)

Stoich.:

A5B7C9 (1)

Weight, g/mol:

473.164789

ΔHf, kcal/mol:

136.01

Dipole, Da:

3.92

IP(EA), eV:

 -9.69(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-3-[[6-[(Z)-2-aminoethenyl]-2,3-dihydropyrazin-5-yl]imino]-2-(aminomethylidene)-N-[(1E,2Z,4Z,7E,9E)-10-cyano-1,2,5,6-tetrazacycloundeca-2,4,7,9,11-pentaen-8-yl]-4,4,4-trifluorobutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)N2N=CC=N2)C#N

DOS

IR

Vibrations