Geometry & MOs

Info

ID:	210081
PubChem CID:	80759650
Reduced:	SCl2N4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	334.07931
ΔH_f, kcal/mol:	34.69
Dipole, Da:	6.12
IP(EA), eV:	-8.69(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-bromo-2-methylphenyl)-6-N,5-diethylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)SC)NC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations