Geometry & MOs

Info

ID:

429862

PubChem CID:

135169915

Reduced:

ISN3H14C22 (1)

Stoich.:

ABC3D14E22 (1)

Weight, g/mol:

504.140069

ΔHf, kcal/mol:

145.09

Dipole, Da:

2.19

IP(EA), eV:

 -9.04(-2.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,3Z)-2-(aminomethylidene)-N-[1-[(Z)-but-2-enylideneamino]-6-chlorodiazepin-4-yl]-4,4,4-trifluoro-3-(2-methylimidazo[1,2-a]pyridin-5-yl)iminobutanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC=C2)C4=CN(C5=C4C=CC=N5)SI

DOS

IR

Vibrations