Geometry & MOs

Info

ID:	43513
PubChem CID:	10321408
Reduced:	NO3C28H49 (1)
Stoich.:	AB3C28D49 (1)
Weight, g/mol:	446.01452
ΔH_f, kcal/mol:	-209.12
Dipole, Da:	3.1
IP(EA), eV:	-8.93(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(Z)-[(4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methylidene]amino]aniline

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)C)C

DOS

IR

Vibrations