Geometry & MOs

Info

ID:	127966
PubChem CID:	51025077
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	285.209264
ΔH_f, kcal/mol:	-96.64
Dipole, Da:	1.7
IP(EA), eV:	-9.7(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(4-tert-butylphenyl)acetamide

Drug info:

PubChemData

Smile

CO[C@H]1C[C@@H]2C=C[C@H]1C2(OC)OC

DOS

IR

Vibrations