Geometry & MOs

Info

ID:	153764
PubChem CID:	56313075
Reduced:	FO2N4H19C24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	442.180504
ΔH_f, kcal/mol:	27.99
Dipole, Da:	4.22
IP(EA), eV:	-9.11(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations