Geometry & MOs

Info

ID:	214350
PubChem CID:	84975249
Reduced:	ClN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	290.186852
ΔH_f, kcal/mol:	-75.3
Dipole, Da:	2.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.243920
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C[NH+](C1)CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations