Geometry & MOs

Info

ID:	441949
PubChem CID:	135246949
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	389.226726
ΔH_f, kcal/mol:	-34.5
Dipole, Da:	3.6
IP(EA), eV:	-9.1(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(N1)COC2=CC(=CC=C2)OCC3CO3

DOS

IR

Vibrations