Geometry & MOs

Info

ID:	51561
PubChem CID:	12014253
Reduced:	O3C25H34 (1)
Stoich.:	A3B25C34 (1)
Weight, g/mol:	354.219495
ΔH_f, kcal/mol:	-87.32
Dipole, Da:	2.0
IP(EA), eV:	-9.26(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R,5R,6S)-5-[(R)-methoxy-[(3R,4S)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethyl]-6-methylbicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2C[C@@H]([C@@H]1[C@H](OC)O[C@@H]3CC/C=C\CC[C@@H]3OCC4=CC=CC=C4)C=C2

DOS

IR

Vibrations