Geometry & MOs

Info

ID:	127763
PubChem CID:	51014356
Reduced:	NO2C19H31 (1)
Stoich.:	AB2C19D31 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-37.88
Dipole, Da:	2.55
IP(EA), eV:	-8.98(1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H]3[C@@H]([C@H]1C[C@@H](C2)O)CC[C@@H]4[C@]3([C@H]5CN[C@@H](C4)O5)C

DOS

IR

Vibrations