Geometry & MOs

Info

ID:	289271
PubChem CID:	104342884
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	15.33
Dipole, Da:	5.22
IP(EA), eV:	-8.91(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CN(C)C2=NC(=NC(=C2)N)COC

DOS

IR

Vibrations