Geometry & MOs

Info

ID:	154419
PubChem CID:	56313853
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	446.136588
ΔH_f, kcal/mol:	-19.67
Dipole, Da:	4.38
IP(EA), eV:	-8.38(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCCN2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations