Geometry & MOs

Info

ID:	289320
PubChem CID:	104345173
Reduced:	OSN3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	243.104148
ΔH_f, kcal/mol:	5.25
Dipole, Da:	3.91
IP(EA), eV:	-8.79(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CSC2=NC(=NC(=C2)NC)COC

DOS

IR

Vibrations