Geometry & MOs

Info

ID:	335728
PubChem CID:	127254590
Reduced:	SO2N3H17C20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	318.043902
ΔH_f, kcal/mol:	-3.54
Dipole, Da:	5.16
IP(EA), eV:	-8.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutyl-7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CSC=C5

DOS

IR

Vibrations