Geometry & MOs

Info

ID:	254225
PubChem CID:	103123543
Reduced:	O3N4H12C13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	245.066123
ΔH_f, kcal/mol:	-28.15
Dipole, Da:	5.42
IP(EA), eV:	-8.54(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC(=N1)C2=C3C=CC=CN3N=C2)N

DOS

IR

Vibrations