Geometry & MOs

Info

ID:	426022
PubChem CID:	135134991
Reduced:	N2O2C9H9 (2)
Stoich.:	A2B2C9D9 (2)
Weight, g/mol:	337.18758
ΔH_f, kcal/mol:	-9.31
Dipole, Da:	3.01
IP(EA), eV:	-8.1(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-butan-2-ylidene-hydroxy-[2-(hydroxyamino)-6-(4-methylpiperazine-1-carbonyl)oxyphenyl]azanium

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)OC2=CC3=C(C=C2)[N+](=O)C4=CC=CC=C4N3[O-]

DOS

IR

Vibrations