Geometry & MOs

Info

ID:	84991
PubChem CID:	49871227
Reduced:	ClN2O4C30H35 (1)
Stoich.:	AB2C4D30E35 (1)
Weight, g/mol:	269.102749
ΔH_f, kcal/mol:	-141.31
Dipole, Da:	5.3
IP(EA), eV:	-8.74(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[N-methyl-3-(trifluoromethyl)anilino]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)CCC2(CC(=O)C(C(=O)O2)CC3=NC4=CC=CC=C4N3C)C5CCCC5)Cl

DOS

IR

Vibrations