Geometry & MOs

Info

ID:	253968
PubChem CID:	103121903
Reduced:	ON6C12H14 (1)
Stoich.:	AB6C12D14 (1)
Weight, g/mol:	266.112738
ΔH_f, kcal/mol:	89.23
Dipole, Da:	3.52
IP(EA), eV:	-9.54(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC1=NOC(=N1)C2=C3C=NC=CN3N=C2)N

DOS

IR

Vibrations