Geometry & MOs

Info

ID:	42387
PubChem CID:	8149500
Reduced:	ClNO4H18C23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-63.47
Dipole, Da:	4.74
IP(EA), eV:	-8.33(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations