Geometry & MOs

Info

ID:	328443
PubChem CID:	126723083
Reduced:	INO4C15H22 (1)
Stoich.:	ABC4D15E22 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-164.25
Dipole, Da:	2.81
IP(EA), eV:	-9.89(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-3-[(1S,6S,8S,10S)-10-methyl-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]propanenitrile

Drug info:

PubChemData

Smile

COC(=O)CCC1C[C@]2([C@@H](O1)CC[C@@H](O2)CCC#N)CI

DOS

IR

Vibrations