Geometry & MOs

Info

ID:	284904
PubChem CID:	104081899
Reduced:	N3O4C14H23 (1)
Stoich.:	A3B4C14D23 (1)
Weight, g/mol:	318.02669
ΔH_f, kcal/mol:	-161.52
Dipole, Da:	4.33
IP(EA), eV:	-8.96(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-bromo-4-fluorophenoxy)hexanoate

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)CNCCC(=O)NCCOC)CO

DOS

IR

Vibrations