Geometry & MOs

Info

ID:	254146
PubChem CID:	103123062
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	292.128388
ΔH_f, kcal/mol:	16.59
Dipole, Da:	4.42
IP(EA), eV:	-9.28(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-piperidin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)N(CCN)C(=O)C1=C2C=NC=CN2N=C1

DOS

IR

Vibrations