Geometry & MOs

Info

ID:	146506
PubChem CID:	53698944
Reduced:	O5N6C20H22 (1)
Stoich.:	A5B6C20D22 (1)
Weight, g/mol:	448.288992
ΔH_f, kcal/mol:	-89.17
Dipole, Da:	4.84
IP(EA), eV:	-9.06(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-fluorohexoxy)phenyl]-5-(4-heptylphenyl)pyrimidine

Drug info:

PubChemData

Smile

CC(C1=CC=CN1)C2=NN(N=N2)CC(=O)C(CC(=O)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations