Geometry & MOs

Info

ID:	173819
PubChem CID:	75687117
Reduced:	ClN2O3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	398.199915
ΔH_f, kcal/mol:	-38.62
Dipole, Da:	2.51
IP(EA), eV:	-8.42(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C(=CC(=C2)C=CC(=O)NCCCN3C=CC4=CC=CC=C43)Cl

DOS

IR

Vibrations