Geometry & MOs

Info

ID:	390260
PubChem CID:	134998100
Reduced:	ClN2H3C4 (3)
Stoich.:	AB2C3D4 (3)
Weight, g/mol:	322.05005
ΔH_f, kcal/mol:	122.53
Dipole, Da:	1.91
IP(EA), eV:	-9.76(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-dichloro-7-(4-methylphenyl)-4a,7-dihydropyrimido[4,5-d]pyrimidin-5-yl]hydrazine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2N=C3C(C(=N2)NN)C(=NC(=N3)Cl)Cl)Cl

DOS

IR

Vibrations