Geometry & MOs

Info

ID:	310909
PubChem CID:	126588434
Reduced:	BrFNO2C19H21 (1)
Stoich.:	ABCD2E19F21 (1)
Weight, g/mol:	425.0802
ΔH_f, kcal/mol:	-113.95
Dipole, Da:	2.88
IP(EA), eV:	-9.08(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-bromo-4-ethyl-5-methylphenoxy)methyl]-3-(difluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2F)NC(=O)CC)Br

DOS

IR

Vibrations