Geometry & MOs

Info

ID:	211052
PubChem CID:	80888870
Reduced:	SN8C11H12 (1)
Stoich.:	AB8C11D12 (1)
Weight, g/mol:	337.02483
ΔH_f, kcal/mol:	130.61
Dipole, Da:	7.28
IP(EA), eV:	-8.99(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromophenyl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)N)SC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations