Geometry & MOs

Info

ID:	154084
PubChem CID:	56313471
Reduced:	N3O4C20H31 (1)
Stoich.:	A3B4C20D31 (1)
Weight, g/mol:	447.120604
ΔH_f, kcal/mol:	-158.21
Dipole, Da:	6.22
IP(EA), eV:	-9.36(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[[2-(2,2,2-trifluoroethoxy)pyridin-4-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)C2CCN(CC2)C(=O)C(C)C3=C(ON=C3C)C

DOS

IR

Vibrations