Geometry & MOs

Info

ID:	214099
PubChem CID:	81067303
Reduced:	O2S2N4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	292.164774
ΔH_f, kcal/mol:	24.95
Dipole, Da:	5.43
IP(EA), eV:	-8.9(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(1,3,5-trimethylpyrazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CN1C(=NN=N1)C2=CC3=C(S2)C=CS3

DOS

IR

Vibrations