Geometry & MOs

Info

ID:	254229
PubChem CID:	103123570
Reduced:	O3N5C13H21 (1)
Stoich.:	A3B5C13D21 (1)
Weight, g/mol:	273.097423
ΔH_f, kcal/mol:	-75.86
Dipole, Da:	4.48
IP(EA), eV:	-9.4(-0.79)
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)propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C)N1C(=C(N=N1)C(=O)O)C2CCNCC2

DOS

IR

Vibrations