Geometry & MOs

Info

ID:	310907
PubChem CID:	126588429
Reduced:	BrNO2C21H24 (1)
Stoich.:	ABC2D21E24 (1)
Weight, g/mol:	429.05513
ΔH_f, kcal/mol:	-43.71
Dipole, Da:	5.4
IP(EA), eV:	-8.81(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2NC(=O)CC)C3CC3)Br

DOS

IR

Vibrations