Geometry & MOs

Info

ID:	248207
PubChem CID:	103079709
Reduced:	O3N5C9H13 (1)
Stoich.:	A3B5C9D13 (1)
Weight, g/mol:	274.073576
ΔH_f, kcal/mol:	8.77
Dipole, Da:	8.85
IP(EA), eV:	-9.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-4-yl)-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC(=O)NC2CC2)[N+](=O)[O-]

DOS

IR

Vibrations