Geometry & MOs

Info

ID:	445968
PubChem CID:	135270138
Reduced:	ON2C10H14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	371.149458
ΔH_f, kcal/mol:	-30.21
Dipole, Da:	4.93
IP(EA), eV:	-8.38(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-N-(1H-benzimidazol-2-yl)-2-[1-(3-cyanopyridin-4-yl)prop-2-enylideneamino]but-2-enamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)NC=O)NC

DOS

IR

Vibrations