Geometry & MOs

Info

ID:	299679
PubChem CID:	117688514
Reduced:	SO4N5C22H27 (1)
Stoich.:	AB4C5D22E27 (1)
Weight, g/mol:	427.107899
ΔH_f, kcal/mol:	-37.33
Dipole, Da:	7.63
IP(EA), eV:	-8.61(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,6-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]pyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(CCOCCO)CCOCCO)N=NC2=C(C(=C(S2)C#N)C)C#N

DOS

IR

Vibrations