Geometry & MOs

Info

ID:	153775
PubChem CID:	56313086
Reduced:	FO2N4C27H29 (1)
Stoich.:	AB2C4D27E29 (1)
Weight, g/mol:	430.180504
ΔH_f, kcal/mol:	-20.72
Dipole, Da:	5.2
IP(EA), eV:	-8.13(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations