Geometry & MOs

Info

ID:	254671
PubChem CID:	103126857
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	298.164105
ΔH_f, kcal/mol:	-81.53
Dipole, Da:	4.69
IP(EA), eV:	-9.55(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-ethoxy-2-hydroxypropyl)-5-pyrrolidin-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)C2CCOCC2)C3CCCN3

DOS

IR

Vibrations