Geometry & MOs

Info

ID:	402857
PubChem CID:	135057577
Reduced:	OSC12H16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	415.07831
ΔH_f, kcal/mol:	-28.58
Dipole, Da:	4.56
IP(EA), eV:	-9.29(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3aS,8bR)-8b-bromo-3a-phenyl-1,2-dihydrofuro[2,3-b]indole-4-carboxylate

Drug info:

PubChemData

Smile

CC/C=C(\CC)/C1=CC=C(S1)C(=O)C

DOS

IR

Vibrations