Geometry & MOs

Info

ID:	254230
PubChem CID:	103123577
Reduced:	O2N7C11H11 (1)
Stoich.:	A2B7C11D11 (1)
Weight, g/mol:	287.113073
ΔH_f, kcal/mol:	64.23
Dipole, Da:	3.51
IP(EA), eV:	-9.57(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid

Drug info:

PubChemData

Smile

CC(CN1C(=NN=N1)C2=C3C=NC=CN3N=C2)C(=O)O

DOS

IR

Vibrations