Geometry & MOs

Info

ID:	411561
PubChem CID:	135084393
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	230.030312
ΔH_f, kcal/mol:	-40.34
Dipole, Da:	4.15
IP(EA), eV:	-8.44(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-4-(trifluoromethyl)oxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)C)CC(=C)C

DOS

IR

Vibrations