Geometry & MOs

Info

ID:	127941
PubChem CID:	51024073
Reduced:	O16C29H42 (1)
Stoich.:	A16B29C42 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-735.17
Dipole, Da:	6.89
IP(EA), eV:	-9.46(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1R,2S,3R,4S)-3-[(1R)-1-hydroxyethyl]-2-bicyclo[2.2.1]hept-5-enyl]ethanol

Drug info:

PubChemData

Smile

CCC(C)C(=O)O[C@H]1C2C(C[C@@H](C2(COC(=O)C)O)OC(=O)C)C(=CO1)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O)O)OC(=O)C

DOS

IR

Vibrations