Geometry & MOs

Info

ID:	39846
PubChem CID:	8142561
Reduced:	BrOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	-88.2
Dipole, Da:	6.41
IP(EA), eV:	-9.97(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4Z,8E,12S)-N-pyridin-3-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C[C@@H]([C@H]1Br)Br)C(=O)O)CC2=CC=CC=C2

DOS

IR

Vibrations