Geometry & MOs

Info

ID:	19623
PubChem CID:	569263
Reduced:	O3N4C10H10 (1)
Stoich.:	A3B4C10D10 (1)
Weight, g/mol:	234.07529
ΔH_f, kcal/mol:	19.69
Dipole, Da:	6.16
IP(EA), eV:	-10.34(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methoxytetrazol-5-yl)methyl benzoate

Drug info:

PubChemData

Smile

CON1C(=NN=N1)COC(=O)C2=CC=CC=C2

DOS

IR

Vibrations