Geometry & MOs

Info

ID:	154750
PubChem CID:	56314266
Reduced:	FO3N4H17C24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	465.160103
ΔH_f, kcal/mol:	-16.55
Dipole, Da:	6.07
IP(EA), eV:	-9.15(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[6-(benzimidazol-1-yl)pyridin-3-yl]methyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C4=NNC(=O)C=C4

DOS

IR

Vibrations