Geometry & MOs

Info

ID:	154815
PubChem CID:	56314340
Reduced:	FO3N4C28H29 (1)
Stoich.:	AB3C4D28E29 (1)
Weight, g/mol:	401.153955
ΔH_f, kcal/mol:	-70.41
Dipole, Da:	6.11
IP(EA), eV:	-8.97(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations