Geometry & MOs

Info

ID:	58361
PubChem CID:	24698001
Reduced:	ClN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	233.091275
ΔH_f, kcal/mol:	-15.55
Dipole, Da:	3.49
IP(EA), eV:	-8.72(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-phenyltetrazol-5-yl)amino]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=N)N)OCC2=CC=CC=C2Cl

DOS

IR

Vibrations