Geometry & MOs

Info

ID:	153769
PubChem CID:	56313080
Reduced:	FO2N5H18C23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	416.164854
ΔH_f, kcal/mol:	38.9
Dipole, Da:	4.22
IP(EA), eV:	-9.38(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)OC2=C(C=C(C=C2)/C=C/C(=O)NCC3=C(N=CC=C3)N4C=CC=N4)F

DOS

IR

Vibrations