Geometry & MOs

Info

ID:	254645
PubChem CID:	103126701
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	280.153541
ΔH_f, kcal/mol:	-87.01
Dipole, Da:	5.91
IP(EA), eV:	-9.5(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-hydroxycyclopentyl)-5-pyrrolidin-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2CCCCO2)C3CCCN3

DOS

IR

Vibrations