Geometry & MOs

Info

ID:	127622
PubChem CID:	51008971
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-129.37
Dipole, Da:	2.78
IP(EA), eV:	-9.76(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,3R,5R,8S)-1,3-dimethyl-2-oxo-8-bicyclo[3.2.1]oct-6-enyl]acetaldehyde

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2C[C@H]([C@H](O1)C3=C2C(=O)CCC3)C(=O)C

DOS

IR

Vibrations