Geometry & MOs

Info

ID:	210728
PubChem CID:	80848038
Reduced:	FON4C12H21 (1)
Stoich.:	ABC4D12E21 (1)
Weight, g/mol:	239.17461
ΔH_f, kcal/mol:	-78.72
Dipole, Da:	4.46
IP(EA), eV:	-8.78(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C(=N1)N[C@H](CO)C(C)C)F

DOS

IR

Vibrations