Geometry & MOs

Info

ID:	154225
PubChem CID:	56313631
Reduced:	O2F3N4C21H21 (1)
Stoich.:	A2B3C4D21E21 (1)
Weight, g/mol:	474.206719
ΔH_f, kcal/mol:	-160.29
Dipole, Da:	3.9
IP(EA), eV:	-8.97(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]amino]phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)C2=NNC3=CC=CC=C32)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations