Geometry & MOs

Info

ID:	127867
PubChem CID:	51020350
Reduced:	C17H23 (2)
Stoich.:	A17B23 (2)
Weight, g/mol:	148.088815
ΔH_f, kcal/mol:	11.28
Dipole, Da:	0.82
IP(EA), eV:	-8.61(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R,4R,5S)-3-tricyclo[3.2.1.02,4]oct-6-enyl]ethanone

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@@H]2C3=C(C(=C(C=C3)[C@H]4C[C@@H]5CC[C@H]4C5)[C@H]6C[C@@H]7CC[C@H]6C7)[C@H]8C[C@@H]9CC[C@@H]8C9

DOS

IR

Vibrations