Geometry & MOs

Info

ID:	254625
PubChem CID:	103126576
Reduced:	N4C13H20 (1)
Stoich.:	A4B13C20 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	46.42
Dipole, Da:	0.99
IP(EA), eV:	-9.23(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC(C1=C2C=NC=CN2N=C1)N

DOS

IR

Vibrations