Geometry & MOs

Info

ID:	254228
PubChem CID:	103123559
Reduced:	ON3C6H6 (2)
Stoich.:	AB3C6D6 (2)
Weight, g/mol:	295.16444
ΔH_f, kcal/mol:	51.97
Dipole, Da:	7.51
IP(EA), eV:	-9.49(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(dimethylamino)-1-oxopropan-2-yl]-5-piperidin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)N1C(=NN=N1)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations