Geometry & MOs

Info

ID:	182998
PubChem CID:	76968547
Reduced:	O2C25H40 (1)
Stoich.:	A2B25C40 (1)
Weight, g/mol:	332.27153
ΔH_f, kcal/mol:	-154.77
Dipole, Da:	0.61
IP(EA), eV:	-8.64(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2R,3R,4R)-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(1R,2S,3S,4S)-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanone

Drug info:

PubChemData

Smile

CCCCC[C@H](C)[C@@H](C)C1=CC(=C2[C@@H]3C[C@@H](CC[C@H]3C(OC2=C1)(C)C)C)O

DOS

IR

Vibrations