Geometry & MOs

Info

ID:	337453
PubChem CID:	127257138
Reduced:	BrNH3C5 (2)
Stoich.:	ABC3D5 (2)
Weight, g/mol:	297.125946
ΔH_f, kcal/mol:	65.52
Dipole, Da:	1.24
IP(EA), eV:	-9.92(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclopentyl-4-N-ethyl-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NC(=CC(=C2)Br)Br

DOS

IR

Vibrations