Geometry & MOs

Info

ID:	296571
PubChem CID:	117584532
Reduced:	O2S2N3H7C10 (1)
Stoich.:	A2B2C3D7E10 (1)
Weight, g/mol:	335.07456
ΔH_f, kcal/mol:	28.51
Dipole, Da:	5.93
IP(EA), eV:	-9.18(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)NS(=O)(=O)C2=C(C=CS2)C#N

DOS

IR

Vibrations