Geometry & MOs

Info

ID:	248263
PubChem CID:	103080113
Reduced:	SO2N4C9H16 (1)
Stoich.:	AB2C4D9E16 (1)
Weight, g/mol:	208.096026
ΔH_f, kcal/mol:	16.23
Dipole, Da:	4.79
IP(EA), eV:	-8.6(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-nitro-N-pent-4-yn-2-ylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC(CCSC)NC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations