Geometry & MOs

Info

ID:	207394
PubChem CID:	80391304
Reduced:	FON2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	280.203845
ΔH_f, kcal/mol:	-94.4
Dipole, Da:	2.68
IP(EA), eV:	-10.2(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]but-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)CC2=NN=NN2CCCC(=O)O

DOS

IR

Vibrations