Geometry & MOs

Info

ID:	389821
PubChem CID:	134995401
Reduced:	C7H10 (2)
Stoich.:	A7B10 (2)
Weight, g/mol:	179.033091
ΔH_f, kcal/mol:	15.5
Dipole, Da:	0.39
IP(EA), eV:	-9.56(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-2H-1,2,4-benzoxadiazine

Drug info:

PubChemData

Smile

C1CCC(CC1)C#CC2CCCC=C2

DOS

IR

Vibrations