Geometry & MOs

Info

ID:	298681
PubChem CID:	117653888
Reduced:	FN2O2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	669.309038
ΔH_f, kcal/mol:	-64.6
Dipole, Da:	3.28
IP(EA), eV:	-9.36(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,8bR)-4-[[3-butyl-2,6-bis(phenylmethoxy)phenyl]methyl]-8b-hydroxy-2,3a-dihydro-1H-furo[2,3-b]indol-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(=C1C)C2CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations