Geometry & MOs

Info

ID:	252131
PubChem CID:	103109347
Reduced:	O2Cl3N3H12C13 (1)
Stoich.:	A2B3C3D12E13 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-36.56
Dipole, Da:	1.66
IP(EA), eV:	-9.96(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=C(C=C(C=C2)Cl)Cl)CCl

DOS

IR

Vibrations