Geometry & MOs

Info

ID:	275540
PubChem CID:	103816546
Reduced:	BrN2O5C11H13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	406.88787
ΔH_f, kcal/mol:	-106.63
Dipole, Da:	7.6
IP(EA), eV:	-9.72(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-iodo-N-(2-methyltetrazol-5-yl)benzamide

Drug info:

PubChemData

Smile

COCCOCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Br

DOS

IR

Vibrations