Geometry & MOs

Info

ID:	164869
PubChem CID:	74462563
Reduced:	O2N3C22H36 (1)
Stoich.:	A2B3C22D36 (1)
Weight, g/mol:	374.280752
ΔH_f, kcal/mol:	-94.02
Dipole, Da:	2.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755626
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)N(CC(=O)NC1=CC=CC(=C1C)C)C(=O)C[NH+]2CCCC(C2)C

DOS

IR

Vibrations