Geometry & MOs

Info

ID:	382452
PubChem CID:	134973613
Reduced:	O4C21H34 (1)
Stoich.:	A4B21C34 (1)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-197.68
Dipole, Da:	2.45
IP(EA), eV:	-9.57(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aS,9bR)-3-methyl-2-phenyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromen-4-ol

Drug info:

PubChemData

Smile

CCCC/C=C\C[C@H](C)C[C@](C(=O)OC)([C@]1(CCC=C1)C)OC(=O)C

DOS

IR

Vibrations