Geometry & MOs

Info

ID:	153561
PubChem CID:	56312809
Reduced:	FO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	423.175833
ΔH_f, kcal/mol:	-52.65
Dipole, Da:	3.1
IP(EA), eV:	-8.76(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations