Geometry & MOs

Info

ID:	203778
PubChem CID:	79869109
Reduced:	NF2O4H9C13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	-119.45
Dipole, Da:	2.85
IP(EA), eV:	-9.85(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2=C(C=CC(=C2F)F)[N+](=O)[O-])CO

DOS

IR

Vibrations