Geometry & MOs

Info

ID:	339765
PubChem CID:	127261774
Reduced:	OH14C19 (1)
Stoich.:	AB14C19 (1)
Weight, g/mol:	252.151415
ΔH_f, kcal/mol:	41.93
Dipole, Da:	2.93
IP(EA), eV:	-8.49(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-1-tert-butyl-3-phenyl-1,3-dihydro-2-benzofuran

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2/C(=C\C3=CC=CC4=CC=CC=C43)/O1

DOS

IR

Vibrations