Geometry & MOs

Info

ID:	210916
PubChem CID:	80871033
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	-52.62
Dipole, Da:	2.31
IP(EA), eV:	-9.51(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=NC(=NC(=N1)NC)OC2=CC=C(C=C2)CO

DOS

IR

Vibrations