Geometry & MOs

Info

ID:	310995
PubChem CID:	126588735
Reduced:	BrN2O3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	297.172879
ΔH_f, kcal/mol:	-58.97
Dipole, Da:	3.16
IP(EA), eV:	-8.66(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations