Geometry & MOs

Info

ID:	210682
PubChem CID:	80840188
Reduced:	BrOSN5C13H18 (1)
Stoich.:	ABCD5E13F18 (1)
Weight, g/mol:	298.07931
ΔH_f, kcal/mol:	14.67
Dipole, Da:	1.21
IP(EA), eV:	-9.23(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-N-ethyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)OC(C)C)NCC2=C(C=CS2)Br

DOS

IR

Vibrations