Geometry & MOs

Info

ID:	310807
PubChem CID:	126587620
Reduced:	NSF2O2C19H21 (1)
Stoich.:	ABC2D2E19F21 (1)
Weight, g/mol:	375.08339
ΔH_f, kcal/mol:	-145.66
Dipole, Da:	1.99
IP(EA), eV:	-8.53(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C(=CC=C2)C(F)F)NC(=S)OC)C

DOS

IR

Vibrations