Geometry & MOs

Info

ID:	252418
PubChem CID:	103111213
Reduced:	O2N6C13H20 (1)
Stoich.:	A2B6C13D20 (1)
Weight, g/mol:	314.104876
ΔH_f, kcal/mol:	-3.73
Dipole, Da:	6.03
IP(EA), eV:	-9.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]piperazine-1-sulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=NN(C=C2)C(C)C)CN

DOS

IR

Vibrations