Geometry & MOs

Info

ID:	165992
PubChem CID:	74622298
Reduced:	ON4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	455.265831
ΔH_f, kcal/mol:	-22.53
Dipole, Da:	3.32
IP(EA), eV:	-9.28(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1NC2CCCCC2C(=O)N1)CC3=CN=CC=C3

DOS

IR

Vibrations