Geometry & MOs

Info

ID:	254235
PubChem CID:	103123616
Reduced:	O2N7C12H13 (1)
Stoich.:	A2B7C12D13 (1)
Weight, g/mol:	287.113073
ΔH_f, kcal/mol:	60.19
Dipole, Da:	8.08
IP(EA), eV:	-9.9(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)N1C(=NN=N1)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations