Geometry & MOs

Info

ID:	42416
PubChem CID:	8149532
Reduced:	OSN2C15H25 (1)
Stoich.:	ABC2D15E25 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-15.55
Dipole, Da:	4.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752665
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-methoxyphenyl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

C[NH+](C)C1(CCCCC1)CNC(=O)CC2=CC=CS2

DOS

IR

Vibrations