Geometry & MOs

Info

ID:	42388
PubChem CID:	8149501
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-83.79
Dipole, Da:	3.84
IP(EA), eV:	-7.97(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,3-benzodioxol-5-yl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)NC3=CC=C(C=C3)N4CCCCC4

DOS

IR

Vibrations