Geometry & MOs

Info

ID:	312686
PubChem CID:	126607343
Reduced:	OF3N5C21H22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	469.21322
ΔH_f, kcal/mol:	-147.15
Dipole, Da:	10.09
IP(EA), eV:	-9.08(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(4R)-1-methyl-2-[[2-(methylamino)anilino]methyl]piperidin-4-yl]but-3-en-1-one

Drug info:

PubChemData

Smile

CN1CCC(C[C@@H]1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations