Geometry & MOs

Info

ID:	27684
PubChem CID:	823041
Reduced:	O5C9H10 (1)
Stoich.:	A5B9C10 (1)
Weight, g/mol:	349.152537
ΔH_f, kcal/mol:	-198.02
Dipole, Da:	4.78
IP(EA), eV:	-11.08(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@]23COC(=O)[C@H]2[C@@H]([C@H]1O3)C(=O)O

DOS

IR

Vibrations