Geometry & MOs

Info

ID:	127607
PubChem CID:	51008360
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	296.198759
ΔH_f, kcal/mol:	-129.53
Dipole, Da:	6.22
IP(EA), eV:	-8.28(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,4R,5R,7S)-7-(3-methoxy-3-oxopropyl)-4,6,6-trimethylbicyclo[3.2.1]octane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@]12C[C@@H](C3=C(C=CC(=C3)OC)OC1)C4=C(O2)N(CN(C4=O)C)C

DOS

IR

Vibrations