Geometry & MOs

Info

ID:	61320
PubChem CID:	26708174
Reduced:	FN2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	431.03439
ΔH_f, kcal/mol:	-86.15
Dipole, Da:	8.14
IP(EA), eV:	-9.18(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3,5-dimethoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)OCC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations