Geometry & MOs

Info

ID:	51562
PubChem CID:	12014254
Reduced:	O3C23H30 (1)
Stoich.:	A3B23C30 (1)
Weight, g/mol:	410.282095
ΔH_f, kcal/mol:	-52.44
Dipole, Da:	1.57
IP(EA), eV:	-9.29(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R,5R,6S)-5-[(R)-methoxy-[(5R,6S)-6-phenylmethoxydeca-1,9-dien-5-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](C=C)[C@H](C=C)OCC3=CC=CC=C3)C=C2

DOS

IR

Vibrations