Geometry & MOs

Info

ID:	154723
PubChem CID:	56314237
Reduced:	F3O3N5C23H30 (1)
Stoich.:	A3B3C5D23E30 (1)
Weight, g/mol:	419.200905
ΔH_f, kcal/mol:	-225.67
Dipole, Da:	4.21
IP(EA), eV:	-8.66(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3)OCC(F)(F)F

DOS

IR

Vibrations