Geometry & MOs

Info

ID:	213809
PubChem CID:	81065058
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	227.101839
ΔH_f, kcal/mol:	-160.92
Dipole, Da:	5.83
IP(EA), eV:	-9.2(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC2=C(C=C1)OCC2

DOS

IR

Vibrations