Geometry & MOs

Info

ID:	437197
PubChem CID:	135215769
Reduced:	ClO2F4N5H20C29 (1)
Stoich.:	AB2C4D5E20F29 (1)
Weight, g/mol:	294.230728
ΔH_f, kcal/mol:	-140.02
Dipole, Da:	5.84
IP(EA), eV:	-9.32(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3-butan-2-ylpiperidin-1-yl)-4-morpholin-4-ylbut-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)[C@H](CC2=CC(=CC(=C2)F)F)NC(=O)CN3C4=CC(=C(C=C4C=N3)F)Cl)C5=CC(=C(C=C5)F)C(=O)N

DOS

IR

Vibrations