Geometry & MOs

Info

ID:	385920
PubChem CID:	134980322
Reduced:	SeO2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-63.54
Dipole, Da:	2.19
IP(EA), eV:	-8.35(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2S)-1-benzamido-2-methoxycyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C[C@@H]([C@@H](CC1)C(=O)C)OCC[Se]C2=CC=CC=C2

DOS

IR

Vibrations