Geometry & MOs

Info

ID:	394948
PubChem CID:	135024219
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	386.264107
ΔH_f, kcal/mol:	-43.99
Dipole, Da:	2.78
IP(EA), eV:	-9.49(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]-2-[(E)-3-trimethylsilylbut-2-enyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

C[C@@]12C=CC(=O)C[C@@H]1N([C@H](O2)C3=CC=CC=C3)C

DOS

IR

Vibrations