Geometry & MOs

Info

ID:	168740
PubChem CID:	75012213
Reduced:	BrO2N3C24H32 (1)
Stoich.:	AB2C3D24E32 (1)
Weight, g/mol:	351.1293
ΔH_f, kcal/mol:	-49.27
Dipole, Da:	3.06
IP(EA), eV:	-8.52(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(2-phenylethenylsulfonyl)spiro[indene-1,4'-piperidine]

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCN(C2)CC3=CC=C(C=C3)OCCCN(C)C)Br

DOS

IR

Vibrations