Geometry & MOs

Info

ID:	407542
PubChem CID:	135080289
Reduced:	O2C4H5 (2)
Stoich.:	A2B4C5 (2)
Weight, g/mol:	247.045628
ΔH_f, kcal/mol:	-155.74
Dipole, Da:	5.92
IP(EA), eV:	-10.16(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitro-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene

Drug info:

PubChemData

Smile

CC1(CC(=C)OC1=O)C(=O)OC

DOS

IR

Vibrations