Geometry & MOs

Info

ID:	210778
PubChem CID:	80853973
Reduced:	N7C11H15 (1)
Stoich.:	A7B11C15 (1)
Weight, g/mol:	252.104482
ΔH_f, kcal/mol:	74.3
Dipole, Da:	6.45
IP(EA), eV:	-9.19(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=NC(=NC(=N2)N)N3CCCC3

DOS

IR

Vibrations