Geometry & MOs

Info

ID:	408391
PubChem CID:	135081157
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	204.056213
ΔH_f, kcal/mol:	-57.74
Dipole, Da:	5.62
IP(EA), eV:	-9.07(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-4-[(Z)-4,4,4-trifluorobut-2-en-2-yl]benzene

Drug info:

PubChemData

Smile

CC(CC(=O)N(C)C1=CC=CC=C1)C=O

DOS

IR

Vibrations