Geometry & MOs

Info

ID:	139133
PubChem CID:	52479084
Reduced:	N2Cl4O4H10C15 (1)
Stoich.:	A2B4C4D10E15 (1)
Weight, g/mol:	266.13789
ΔH_f, kcal/mol:	-125.59
Dipole, Da:	2.92
IP(EA), eV:	-10.19(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(5-nitropyridin-2-yl)piperazin-1-yl]propan-1-ol

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)Cl)C(=O)OCCCOC(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations