Geometry & MOs

Info

ID:	136041
PubChem CID:	51970002
Reduced:	ClNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	429.205729
ΔH_f, kcal/mol:	-78.8
Dipole, Da:	1.55
IP(EA), eV:	-8.89(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-chloro-N-[4-[2-(4-ethylpiperazin-4-ium-1-yl)anilino]-4-oxobutyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)CCOC2=CC=CC=C2Cl

DOS

IR

Vibrations