Geometry & MOs

Info

ID:	207305
PubChem CID:	80373904
Reduced:	BrOSN5C8H8 (1)
Stoich.:	ABCD5E8F8 (1)
Weight, g/mol:	247.106925
ΔH_f, kcal/mol:	84.68
Dipole, Da:	3.87
IP(EA), eV:	-9.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methylphenoxy)ethyl]-2H-tetrazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CSC(=C1)Br)C(=O)C2=NNN=N2

DOS

IR

Vibrations