Geometry & MOs

Info

ID:	254604
PubChem CID:	103126462
Reduced:	O3N5C12H19 (1)
Stoich.:	A3B5C12D19 (1)
Weight, g/mol:	288.133474
ΔH_f, kcal/mol:	-79.07
Dipole, Da:	1.5
IP(EA), eV:	-9.51(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(pyrimidin-2-ylmethyl)-5-pyrrolidin-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC)N1C(=C(N=N1)C(=O)OC)C2CCCN2

DOS

IR

Vibrations