Geometry & MOs

Info

ID:	145056
PubChem CID:	53453152
Reduced:	ClON2H21C24 (1)
Stoich.:	ABC2D21E24 (1)
Weight, g/mol:	301.139961
ΔH_f, kcal/mol:	70.77
Dipole, Da:	3.91
IP(EA), eV:	-9.16(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

bis(2-hydroxyethyl)-[2-hydroxy-3-(4-nitrophenoxy)propyl]azanium

Drug info:

PubChemData

Smile

C=C(C1=CC=C(C=C1)Cl)NNC(=O)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations