Geometry & MOs

Info

ID:	386054
PubChem CID:	134980649
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	213.99933
ΔH_f, kcal/mol:	-162.08
Dipole, Da:	3.64
IP(EA), eV:	-8.86(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2R,4S)-2-bromo-2-bicyclo[2.2.1]hept-5-enyl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1(CC(=C(C[C@@H]1O)C)C)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations