Geometry & MOs

Info

ID:	151298
PubChem CID:	53801019
Reduced:	FOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	448.288992
ΔH_f, kcal/mol:	-39.07
Dipole, Da:	3.25
IP(EA), eV:	-9.25(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-fluoroheptoxy)phenyl]-5-(4-hexylphenyl)pyrimidine

Drug info:

PubChemData

Smile

CCC=CC1=C(C(=CC=C1)C(=O)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations