Geometry & MOs

Info

ID:	208999
PubChem CID:	80610887
Reduced:	ClOS2N3C9H10 (1)
Stoich.:	ABC2D3E9F10 (1)
Weight, g/mol:	325.11536
ΔH_f, kcal/mol:	36.98
Dipole, Da:	3.52
IP(EA), eV:	-9.56(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-cyclooctyl-6-ethyl-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CCOCC2=NN=C(S2)Cl

DOS

IR

Vibrations