Geometry & MOs

Info

ID:	154925
PubChem CID:	56314475
Reduced:	O2F3N4C20H25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	405.185255
ΔH_f, kcal/mol:	-185.24
Dipole, Da:	5.58
IP(EA), eV:	-8.73(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)OC)C(F)(F)F

DOS

IR

Vibrations