Geometry & MOs

Info

ID:	411228
PubChem CID:	135084041
Reduced:	BrN3F4C6 (1)
Stoich.:	AB3C4D6 (1)
Weight, g/mol:	196.182715
ΔH_f, kcal/mol:	-68.35
Dipole, Da:	0.78
IP(EA), eV:	-9.84(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane

Drug info:

PubChemData

Smile

C1(=C(C(=C(C(=C1F)F)Br)F)F)N=[N+]=[N-]

DOS

IR

Vibrations