Geometry & MOs

Info

ID:	85408
PubChem CID:	49874845
Reduced:	NC22H27 (1)
Stoich.:	AB22C27 (1)
Weight, g/mol:	246.082684
ΔH_f, kcal/mol:	37.26
Dipole, Da:	2.03
IP(EA), eV:	-8.53(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[1,3-dihydroisothiochromene-4,2'-morpholine]-4'-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)CCC/C(=C\C2=CC=CC=C2)/C3=CC=CC=C3

DOS

IR

Vibrations