Geometry & MOs

Info

ID:	174252
PubChem CID:	75744341
Reduced:	O3N5C28H47 (1)
Stoich.:	A3B5C28D47 (1)
Weight, g/mol:	304.238888
ΔH_f, kcal/mol:	-173.98
Dipole, Da:	4.4
IP(EA), eV:	-9.21(0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-benzylpiperazin-4-ium-1-yl)-N-tert-butylpropanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1CCC2C(C1)N3C(NN(C3=O)CC4CCCCC4)N(C2=O)CC5CCCCC5

DOS

IR

Vibrations