Geometry & MOs

Info

ID:	42349
PubChem CID:	8149462
Reduced:	ClO2N3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	340.17918
ΔH_f, kcal/mol:	-86.38
Dipole, Da:	3.38
IP(EA), eV:	-8.13(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-2-(4-chloro-2-methoxy-5-methylanilino)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)[C@@H](C)NC2=C(C=C(C(=C2)C)Cl)OC

DOS

IR

Vibrations