Geometry & MOs

Info

ID:	29428
PubChem CID:	833715
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	325.081104
ΔH_f, kcal/mol:	-52.78
Dipole, Da:	4.63
IP(EA), eV:	-8.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methyl]tetrazole

Drug info:

PubChemData

Smile

C1COCCN1CC(=O)NN=CC2=C(C=CC3=CC=CC=C32)O

DOS

IR

Vibrations