Geometry & MOs

Info

ID:	149497
PubChem CID:	53789170
Reduced:	ON2C14H26 (1)
Stoich.:	AB2C14D26 (1)
Weight, g/mol:	448.252606
ΔH_f, kcal/mol:	-95.21
Dipole, Da:	5.07
IP(EA), eV:	-9.25(1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-4-heptylphenyl) 4-(5-butylpyrimidin-2-yl)benzoate

Drug info:

PubChemData

Smile

[3H]N1CCC2CCCCC2C1CC(CC)C(=O)N

DOS

IR

Vibrations