Geometry & MOs

Info

ID:	128012
PubChem CID:	51026537
Reduced:	C11H14 (1)
Stoich.:	A11B14 (1)
Weight, g/mol:	383.06358
ΔH_f, kcal/mol:	32.96
Dipole, Da:	0.33
IP(EA), eV:	-9.46(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-O-ethyl 2-O-methyl (1R,2S,3S,4S)-3-phenylselanyl-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate

Drug info:

PubChemData

Smile

C1C=CC[C@H]2[C@H]1[C@@H]3C[C@H]2C=C3

DOS

IR

Vibrations