Geometry & MOs

Info

ID:	381654
PubChem CID:	134972452
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	221.046377
ΔH_f, kcal/mol:	12.76
Dipole, Da:	7.78
IP(EA), eV:	-9.58(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl fluoride

Drug info:

PubChemData

Smile

CC(=CCC(C#C)OCC1=CC=C(C=C1)[N+](=O)[O-])C

DOS

IR

Vibrations