Geometry & MOs

Info

ID:	165689
PubChem CID:	74584387
Reduced:	ClOF3N3H15C21 (1)
Stoich.:	ABC3D3E15F21 (1)
Weight, g/mol:	362.124212
ΔH_f, kcal/mol:	-63.62
Dipole, Da:	5.8
IP(EA), eV:	-8.93(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-phenyl-4-(trifluoromethyl)-3,3a,4,5,7,7a-hexahydro-2H-[1,2]oxazolo[5,4-b]pyridin-6-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=NN(C2=NC(=C3C=CC(=O)C=C3)C=C(C12)C(F)(F)F)CC4=CC=CC=C4Cl

DOS

IR

Vibrations