Geometry & MOs

Info

ID:	27687
PubChem CID:	823060
Reduced:	NO7C16H21 (1)
Stoich.:	AB7C16D21 (1)
Weight, g/mol:	267.110673
ΔH_f, kcal/mol:	-219.76
Dipole, Da:	4.25
IP(EA), eV:	-9.29(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R)-4-(furan-2-yl)-2,2,3,3-tetramethoxycyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@@H](C(C1(OC)OC)(OC)OC)C2=CC=CO2)C#N

DOS

IR

Vibrations