Geometry & MOs

Info

ID:	248181
PubChem CID:	103079486
Reduced:	O2N5C6H11 (1)
Stoich.:	A2B5C6D11 (1)
Weight, g/mol:	346.99055
ΔH_f, kcal/mol:	31.86
Dipole, Da:	7.27
IP(EA), eV:	-9.02(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-bromonaphthalen-2-yl)oxy-1-methyl-4-nitropyrazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations