Geometry & MOs

Info

ID:	441891
PubChem CID:	135246490
Reduced:	BrON2F3H8C12 (1)
Stoich.:	ABC2D3E8F12 (1)
Weight, g/mol:	397.195426
ΔH_f, kcal/mol:	-125.45
Dipole, Da:	5.65
IP(EA), eV:	-9.75(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(2-ethyl-4-fluorophenyl)pyridin-2-yl]methyl]-2-(2-phenylethyl)pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(F)(F)F)OC2=C(C=CC=N2)Br

DOS

IR

Vibrations