Geometry & MOs

Info

ID:	248239
PubChem CID:	103079930
Reduced:	O2N6C11H20 (1)
Stoich.:	A2B6C11D20 (1)
Weight, g/mol:	216.068097
ΔH_f, kcal/mol:	31.74
Dipole, Da:	6.43
IP(EA), eV:	-8.42(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC2=NN(C=C2[N+](=O)[O-])C)C

DOS

IR

Vibrations