Geometry & MOs

Info

ID:	248238
PubChem CID:	103079914
Reduced:	SO2N5C9H11 (1)
Stoich.:	AB2C5D9E11 (1)
Weight, g/mol:	268.164774
ΔH_f, kcal/mol:	61.33
Dipole, Da:	6.38
IP(EA), eV:	-9.14(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations