Geometry & MOs

Info

ID:	210779
PubChem CID:	80854199
Reduced:	OSN4C11H16 (1)
Stoich.:	ABC4D11E16 (1)
Weight, g/mol:	373.97006
ΔH_f, kcal/mol:	-7.66
Dipole, Da:	4.96
IP(EA), eV:	-8.63(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-bromo-4-chlorophenyl)-5-chloro-2-N-propylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CSC1=NC(=CC(=N1)NC2CC3CCC2O3)N

DOS

IR

Vibrations