Geometry & MOs

Info

ID:	166709
PubChem CID:	74723948
Reduced:	OCl2N5H17C24 (1)
Stoich.:	AB2C5D17E24 (1)
Weight, g/mol:	398.057541
ΔH_f, kcal/mol:	106.44
Dipole, Da:	4.21
IP(EA), eV:	-8.97(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(2,3-dichloroanilino)-8-methyl-4-phenyl-4H-pyrimido[1,2-a][1,3,5]triazin-6-olate

Drug info:

PubChemData

Smile

C1C(N2C(=NC(=N2)NC(=O)C3=CC=CC=C3Cl)N=C1C4=CC=CC=C4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations