Geometry & MOs

Info

ID:	254176
PubChem CID:	103123256
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	40.57
Dipole, Da:	4.05
IP(EA), eV:	-9.35(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-piperidin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C1)N(CCCN)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations