Geometry & MOs

Info

ID:	214097
PubChem CID:	81067300
Reduced:	ClO2N4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	291.133139
ΔH_f, kcal/mol:	-23.15
Dipole, Da:	5.87
IP(EA), eV:	-10.12(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(2-methoxypyridin-3-yl)tetrazol-1-yl]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CN1C(=NN=N1)CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations