Geometry & MOs

Info

ID:	254226
PubChem CID:	103123550
Reduced:	O2H7N7C9 (1)
Stoich.:	A2B7C7D9 (1)
Weight, g/mol:	208.070874
ΔH_f, kcal/mol:	78.47
Dipole, Da:	4.22
IP(EA), eV:	-9.8(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)C3=NN=NN3CC(=O)O)C=N1

DOS

IR

Vibrations