Geometry & MOs

Info

ID:	227600
PubChem CID:	87562068
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	406.154209
ΔH_f, kcal/mol:	-16.13
Dipole, Da:	6.27
IP(EA), eV:	-8.16(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-(methylamino)-6-phenyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]benzaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C(C)C2=CNC(=S)N2)CO

DOS

IR

Vibrations