Geometry & MOs

Info

ID:	299851
PubChem CID:	117695939
Reduced:	N3O5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	456.127247
ΔH_f, kcal/mol:	-72.32
Dipole, Da:	5.35
IP(EA), eV:	-9.99(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-cyanophenyl)-3,3-dimethyl-4-oxobutan-2-yl]-2,6-bis(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(C(C)NC(=O)C1=C(ON=C1)C(C)(C)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations