Geometry & MOs

Info

ID:	254210
PubChem CID:	103123423
Reduced:	ON5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	66.19
Dipole, Da:	1.27
IP(EA), eV:	-8.89(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-3-ylmethyl)-5-piperidin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCNC(C)C1=NC=C(O1)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations