Geometry & MOs

Info

ID:	433201
PubChem CID:	135173338
Reduced:	BrNSC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	12.0
Dipole, Da:	2.93
IP(EA), eV:	-8.34(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3'R)-1',1',3'-trimethylspiro[1,3-dihydroisochromene-4,2'-cyclobutane]

Drug info:

PubChemData

Smile

CCN(CC)SC1=CC=C(C=C1)CBr

DOS

IR

Vibrations