Geometry & MOs

Info

ID:	328453
PubChem CID:	126723115
Reduced:	O4C15H24 (1)
Stoich.:	A4B15C24 (1)
Weight, g/mol:	347.209658
ΔH_f, kcal/mol:	-198.64
Dipole, Da:	5.13
IP(EA), eV:	-9.81(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-3-[(3R,7S,8R,10S)-spiro[4,6,9,14-tetraoxatetracyclo[6.6.1.01,10.03,7]pentadecane-5,1'-cyclohexane]-13-yl]propanenitrile

Drug info:

PubChemData

Smile

C[C@@H]1CC(OC1=O)CCC2C(=C)C[C@@H](O2)CCCO

DOS

IR

Vibrations