Geometry & MOs

Info

ID:	254179
PubChem CID:	103123265
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	-8.94
Dipole, Da:	3.83
IP(EA), eV:	-9.27(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylbutyl)-5-piperidin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CN(CC(O1)CN)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations