Geometry & MOs

Info

ID:	157431
PubChem CID:	56424132
Reduced:	NF3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	404.171162
ΔH_f, kcal/mol:	-255.32
Dipole, Da:	5.12
IP(EA), eV:	-8.9(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopropanecarbonylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CC1=CC2=C(C=C1)OCCO2)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations