Geometry & MOs

Info

ID:	401331
PubChem CID:	135050973
Reduced:	OC7H8 (3)
Stoich.:	AB7C8 (3)
Weight, g/mol:	395.072905
ΔH_f, kcal/mol:	-94.88
Dipole, Da:	1.71
IP(EA), eV:	-9.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-nitrophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]azanium;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CCCCCCC(=O)OC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations