Geometry & MOs

Info

ID:	310843
PubChem CID:	126588127
Reduced:	FINO2C18H19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	331.133907
ΔH_f, kcal/mol:	-82.99
Dipole, Da:	3.98
IP(EA), eV:	-8.37(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]phenyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2I)NC(=O)CC)F

DOS

IR

Vibrations