Geometry & MOs

Info

ID:	241012
PubChem CID:	93621171
Reduced:	OF3N4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-145.17
Dipole, Da:	5.81
IP(EA), eV:	-8.89(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[(E)-3-[2-[(2S)-2-methylpiperidin-1-yl]ethylamino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

C1C[C@@H](C[C@@H](C1)C(F)(F)F)C(=O)NC2=CN=C(C=C2)N3C=CC=N3

DOS

IR

Vibrations