Geometry & MOs

Info

ID:	398078
PubChem CID:	135031633
Reduced:	FO3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-110.97
Dipole, Da:	3.01
IP(EA), eV:	-8.59(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-cuban-1-yl-2-cyanopropanoate

Drug info:

PubChemData

Smile

CC(C)(C=C)C1(C2=C(C=CC(=C2)OC)OC3=C1C(=CC=C3)F)O

DOS

IR

Vibrations