Geometry & MOs

Info

ID:	166015
PubChem CID:	74626426
Reduced:	N3O4H17C19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	-50.18
Dipole, Da:	7.01
IP(EA), eV:	-9.66(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-[3-(2-oxopiperidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=COC=C2)C(=O)C3=CC(=O)N=C4C3C=CC=C4

DOS

IR

Vibrations