Geometry & MOs

Info

ID:	196598
PubChem CID:	78851917
Reduced:	BrO2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	333.154035
ΔH_f, kcal/mol:	-20.1
Dipole, Da:	6.25
IP(EA), eV:	-8.45(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenoxy)-N-[1-(2-fluorophenyl)ethyl]-N-methylbutanamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C2CCN(CC2)C3=NC=CN=C3

DOS

IR

Vibrations