Geometry & MOs

Info

ID:	127513
PubChem CID:	51004474
Reduced:	O3C18H28 (1)
Stoich.:	A3B18C28 (1)
Weight, g/mol:	298.05684
ΔH_f, kcal/mol:	-159.81
Dipole, Da:	3.47
IP(EA), eV:	-9.38(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3S,6S,8R)-7-bromo-2-tetracyclo[6.2.1.13,6.02,7]dodecanyl] acetate

Drug info:

PubChemData

Smile

CC1=CC[C@@H]([C@H]2[C@@H]1[C@@H]3CC(=O)[C@H]([C@H]2O3)CCCO)C(C)C

DOS

IR

Vibrations