Geometry & MOs

Info

ID:	27685
PubChem CID:	823048
Reduced:	NO6C18H23 (1)
Stoich.:	AB6C18D23 (1)
Weight, g/mol:	287.136887
ΔH_f, kcal/mol:	-183.12
Dipole, Da:	4.81
IP(EA), eV:	-9.34(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,4R)-1-cyano-2,2,3,3-tetramethoxy-4-methylcyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@@H](C(C1(OC)OC)(OC)OC)C2=CC=CC=C2)C#N

DOS

IR

Vibrations