Geometry & MOs

Info

ID:	213855
PubChem CID:	81065486
Reduced:	SN3O4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	199.106925
ΔH_f, kcal/mol:	-55.04
Dipole, Da:	4.21
IP(EA), eV:	-9.1(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(1-methyltetrazol-5-yl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

DOS

IR

Vibrations