Geometry & MOs

Info

ID:	153597
PubChem CID:	56312855
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	419.200905
ΔH_f, kcal/mol:	-132.74
Dipole, Da:	1.85
IP(EA), eV:	-9.5(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=CC=C1)CNC(=O)C(C)C2=C(ON=C2C)C

DOS

IR

Vibrations