Geometry & MOs

Info

ID:	27977
PubChem CID:	824495
Reduced:	NO2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	210.052823
ΔH_f, kcal/mol:	-36.73
Dipole, Da:	3.61
IP(EA), eV:	-7.97(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S,6S,7S)-3-oxo-4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@]1(CCC2=C(C1)NC3=C2C=C(C=C3)OC)C4=CC(=CC=C4)OC

DOS

IR

Vibrations