Geometry & MOs

Info

ID:	254243
PubChem CID:	103123652
Reduced:	ON5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	281.185175
ΔH_f, kcal/mol:	93.9
Dipole, Da:	0.96
IP(EA), eV:	-8.86(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(dimethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CC1NCC2=C(OC=N2)C3=C4C=NC=CN4N=C3

DOS

IR

Vibrations