Geometry & MOs

Info

ID:	214281
PubChem CID:	84974899
Reduced:	O2N3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	324.14788
ΔH_f, kcal/mol:	-66.81
Dipole, Da:	1.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756345
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C[NH+](C1)CC(=O)NC2=CC3=C(CCC3)C=C2)C(=O)N

DOS

IR

Vibrations