Geometry & MOs

Info

ID:	310869
PubChem CID:	126588261
Reduced:	BrO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	381.155178
ΔH_f, kcal/mol:	-110.81
Dipole, Da:	2.6
IP(EA), eV:	-8.73(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methoxyphenyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2Br)CC(=O)OC)C

DOS

IR

Vibrations