Geometry & MOs

Info

ID:	208591
PubChem CID:	80550428
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	323.984416
ΔH_f, kcal/mol:	-125.59
Dipole, Da:	4.83
IP(EA), eV:	-9.3(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dichloro-5-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine

Drug info:

PubChemData

Smile

COC1CCCC1NC(=O)CC2=CC=CC=C2O

DOS

IR

Vibrations