Geometry & MOs

Info

ID:	407124
PubChem CID:	135079362
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	284.19476
ΔH_f, kcal/mol:	-116.58
Dipole, Da:	5.19
IP(EA), eV:	-9.33(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-phenyl-2-[(1S,2R,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@@H](C)C(=O)C(C)C

DOS

IR

Vibrations