Geometry & MOs

Info

ID:	289300
PubChem CID:	104344432
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-15.92
Dipole, Da:	4.95
IP(EA), eV:	-8.61(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxyphenyl]methanol

Drug info:

PubChemData

Smile

CNC1=CC(=NC(=N1)COC)OC2=CC=C(C=C2)SC

DOS

IR

Vibrations