Geometry & MOs

Info

ID:	248250
PubChem CID:	103080022
Reduced:	O2N4C13H24 (1)
Stoich.:	A2B4C13D24 (1)
Weight, g/mol:	212.09094
ΔH_f, kcal/mol:	-10.69
Dipole, Da:	6.21
IP(EA), eV:	-8.79(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-nitro-N-(oxolan-3-yl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CCCCCC(C)(C)CNC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations