Geometry & MOs

Info

ID:	44425
PubChem CID:	10503469
Reduced:	ClO2N4H21C25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	445.153875
ΔH_f, kcal/mol:	46.49
Dipole, Da:	5.51
IP(EA), eV:	-8.33(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-anilino-2-(4-methoxyphenyl)-4-oxo-8-phenylpyrimido[1,2-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2C(C(=O)N2N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5)Cl

DOS

IR

Vibrations