Geometry & MOs

Info

ID:	416377
PubChem CID:	135089390
Reduced:	NO2C19H27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	323.140055
ΔH_f, kcal/mol:	-73.81
Dipole, Da:	4.45
IP(EA), eV:	-8.96(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(4-chloro-3-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(CC2(C)C)C(=O)N(C)C3CCOCC3

DOS

IR

Vibrations