Geometry & MOs

Info

ID:	130572
PubChem CID:	51091315
Reduced:	N4O5C12H12 (1)
Stoich.:	A4B5C12D12 (1)
Weight, g/mol:	288.085855
ΔH_f, kcal/mol:	-39.17
Dipole, Da:	5.8
IP(EA), eV:	-10.22(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropylmethyl 3-nitro-4-(1,2,4-triazol-1-yl)benzoate

Drug info:

PubChemData

Smile

COCCOC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-]

DOS

IR

Vibrations