Geometry & MOs

Info

ID:	227493
PubChem CID:	87561850
Reduced:	ClN2O2C7H7 (1)
Stoich.:	AB2C2D7E7 (1)
Weight, g/mol:	329.12766
ΔH_f, kcal/mol:	-66.08
Dipole, Da:	5.71
IP(EA), eV:	-9.64(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)Cl)NC(=O)O

DOS

IR

Vibrations