Geometry & MOs

Info

ID:	153974
PubChem CID:	56313331
Reduced:	O2F3N5C20H24 (1)
Stoich.:	A2B3C5D20E24 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	-187.23
Dipole, Da:	2.91
IP(EA), eV:	-8.86(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations