Geometry & MOs

Info

ID:	312261
PubChem CID:	126603946
Reduced:	N2F3O5H23C34 (1)
Stoich.:	A2B3C5D23E34 (1)
Weight, g/mol:	159.125929
ΔH_f, kcal/mol:	-206.87
Dipole, Da:	6.78
IP(EA), eV:	-8.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethylaminomethyl pentanoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2=C(C=C(C(=O)N2)O)C3=CC(=CC(=C3)F)OC4=CC(=C(NC4O)C5=CC=C(C=C5)O)C6=CC=C(C=C6)F

DOS

IR

Vibrations