Geometry & MOs

Info

ID:	248208
PubChem CID:	103079712
Reduced:	SN4O4C9H14 (1)
Stoich.:	AB4C4D9E14 (1)
Weight, g/mol:	263.101839
ΔH_f, kcal/mol:	-61.06
Dipole, Da:	8.45
IP(EA), eV:	-9.3(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxypyridin-3-yl)methyl]-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2CCS(=O)(=O)CC2)[N+](=O)[O-]

DOS

IR

Vibrations