Geometry & MOs

Info

ID:	154635
PubChem CID:	56314116
Reduced:	O2F3N3C18H22 (1)
Stoich.:	A2B3C3D18E22 (1)
Weight, g/mol:	406.132885
ΔH_f, kcal/mol:	-195.78
Dipole, Da:	5.64
IP(EA), eV:	-8.86(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CN(C)C(=O)C2=C(N(N=C2)C(C)C)C(F)(F)F

DOS

IR

Vibrations