Geometry & MOs

Info

ID:	227367
PubChem CID:	87561537
Reduced:	OF2N3H9C16 (1)
Stoich.:	AB2C3D9E16 (1)
Weight, g/mol:	357.15896
ΔH_f, kcal/mol:	9.92
Dipole, Da:	4.22
IP(EA), eV:	-9.01(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-phenyl-2-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]benzaldehyde

Drug info:

PubChemData

Smile

C#CC1=C2C(=CNC2=NC=C1)C(=O)C3=C(C=CC(=C3F)N)F

DOS

IR

Vibrations