Geometry & MOs

Info

ID:	220335
PubChem CID:	85177308
Reduced:	ClNC14H28 (1)
Stoich.:	ABC14D28 (1)
Weight, g/mol:	246.047934
ΔH_f, kcal/mol:	-27.6
Dipole, Da:	2.73
IP(EA), eV:	-9.21(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

CCCCN(CC(CC=CC)C(C)(C)C)Cl

DOS

IR

Vibrations