Geometry & MOs

Info

ID:	411361
PubChem CID:	135084184
Reduced:	BrNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	295.00687
ΔH_f, kcal/mol:	-22.03
Dipole, Da:	5.44
IP(EA), eV:	-9.59(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-1-benzyl-5-(2-bromo-1-nitrosoethylidene)-2H-tetrazole

Drug info:

PubChemData

Smile

C/C(=N\OC(=O)C)/C1=CC(=CC=C1)Br

DOS

IR

Vibrations