Geometry & MOs

Info

ID:	258457
PubChem CID:	103154179
Reduced:	BrN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	226.111756
ΔH_f, kcal/mol:	-65.78
Dipole, Da:	5.0
IP(EA), eV:	-9.02(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-fluorophenyl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=CC=C(C=C1)Br)CN

DOS

IR

Vibrations