Geometry & MOs

Info

ID:	417616
PubChem CID:	135102244
Reduced:	ON4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	97.63
Dipole, Da:	3.34
IP(EA), eV:	-9.2(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]oxolan-3-ol

Drug info:

PubChemData

Smile

CN(CC1=NOC=C1)CC2=CC=CC=C2N3C=CC=N3

DOS

IR

Vibrations