Geometry & MOs

Info

ID:	287981
PubChem CID:	104304196
Reduced:	ClFN2O2H12C13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	300.047712
ΔH_f, kcal/mol:	-86.13
Dipole, Da:	2.83
IP(EA), eV:	-9.7(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2,5-difluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol

Drug info:

PubChemData

Smile

COC1=NC=NC(=C1)CC(C2=C(C(=CC=C2)Cl)F)O

DOS

IR

Vibrations