Geometry & MOs

Info

ID:	248209
PubChem CID:	103079717
Reduced:	O3N5C11H13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	248.057926
ΔH_f, kcal/mol:	24.3
Dipole, Da:	6.1
IP(EA), eV:	-8.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2=C(N=CC=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations