Geometry & MOs

Info

ID:	129883
PubChem CID:	51074143
Reduced:	Cl2N2O2H14C17 (1)
Stoich.:	A2B2C2D14E17 (1)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	-58.07
Dipole, Da:	6.57
IP(EA), eV:	-9.02(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations