Geometry & MOs

Info

ID:	435519
PubChem CID:	135191702
Reduced:	SC23H24 (1)
Stoich.:	AB23C24 (1)
Weight, g/mol:	241.123342
ΔH_f, kcal/mol:	94.79
Dipole, Da:	2.05
IP(EA), eV:	-7.87(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3a,4,5,6,7,7a,7b-octahydro-1H-cyclobuta[b][1]benzofuran-2a-yl)-3-chloropropan-1-imine

Drug info:

PubChemData

Smile

CC1=C2C3=CC=CC([C@]3(SC2=CC=C1)C)C4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations