Geometry & MOs

Info

ID:	164868
PubChem CID:	74462562
Reduced:	NO6H18C21 (1)
Stoich.:	AB6C18D21 (1)
Weight, g/mol:	374.280752
ΔH_f, kcal/mol:	-106.93
Dipole, Da:	7.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.786705
Charge, e:	1

Chem-info

IUPAC name:

N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(3-methylpiperidin-1-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)OCC(=O)[O-])C(=O)O2

DOS

IR

Vibrations