Geometry & MOs

Info

ID:	36492
PubChem CID:	8007531
Reduced:	N3O5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	283.132564
ΔH_f, kcal/mol:	-206.93
Dipole, Da:	9.3
IP(EA), eV:	-9.36(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-ylidene]methanediamine

Drug info:

PubChemData

Smile

CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C1=CC(=CC=C1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations