Geometry & MOs

Info

ID:	248262
PubChem CID:	103080111
Reduced:	O2N4C9H12 (1)
Stoich.:	A2B4C9D12 (1)
Weight, g/mol:	244.099397
ΔH_f, kcal/mol:	44.29
Dipole, Da:	6.16
IP(EA), eV:	-8.88(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(4-methylsulfanylbutan-2-yl)-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2CC=CC2)[N+](=O)[O-]

DOS

IR

Vibrations