Geometry & MOs

Info

ID:	385923
PubChem CID:	134980327
Reduced:	NO6C16H17 (1)
Stoich.:	AB6C16D17 (1)
Weight, g/mol:	327.22297
ΔH_f, kcal/mol:	-134.29
Dipole, Da:	6.32
IP(EA), eV:	-10.15(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-6-methylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)[C@@]1(CCC=C[C@@H]1OC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations