Geometry & MOs

Info

ID:	310842
PubChem CID:	126588125
Reduced:	BrFNO2C18H19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	427.04445
ΔH_f, kcal/mol:	-96.1
Dipole, Da:	2.78
IP(EA), eV:	-8.78(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2Br)NC(=O)CC)F

DOS

IR

Vibrations