Geometry & MOs

Info

ID:	125936
PubChem CID:	50944510
Reduced:	SO3N5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	247.106925
ΔH_f, kcal/mol:	5.02
Dipole, Da:	7.69
IP(EA), eV:	-8.88(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(3-aminophenyl)tetrazol-2-yl]butanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NN=C3S2)CN4CCCCCC4

DOS

IR

Vibrations