Geometry & MOs

Info

ID:	254185
PubChem CID:	103123283
Reduced:	O2N3H7C10 (1)
Stoich.:	A2B3C7D10 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	53.87
Dipole, Da:	2.85
IP(EA), eV:	-9.55(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pentan-3-yl-5-piperidin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C#CC1=C2C=NC=CN2N=C1

DOS

IR

Vibrations