Geometry & MOs

Info

ID:	49482
PubChem CID:	11533095
Reduced:	BrN3O3H22C24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	480.164775
ΔH_f, kcal/mol:	-57.41
Dipole, Da:	3.59
IP(EA), eV:	-8.8(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CCCCC2=C(C3=CC=CC=C3N2)C4=C(C(=O)NC4=O)Br

DOS

IR

Vibrations