Geometry & MOs

Info

ID:	319824
PubChem CID:	126657358
Reduced:	F2O3N6H30C32 (1)
Stoich.:	A2B3C6D30E32 (1)
Weight, g/mol:	284.27153
ΔH_f, kcal/mol:	-64.04
Dipole, Da:	4.78
IP(EA), eV:	-8.37(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pentyloctyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)F)C(NC2=CC=C(C=C2)C3=CN4C(=NC(=N4)NC5=C(C=C(C=C5)C(=O)N6CC(C6)F)OC)C=C3)O

DOS

IR

Vibrations