Geometry & MOs

Info

ID:	254633
PubChem CID:	103126632
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	6.47
Dipole, Da:	3.02
IP(EA), eV:	-9.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2=CN=CC=C2)C3CCCN3

DOS

IR

Vibrations