Geometry & MOs

Info

ID:	1130
PubChem CID:	3827
Reduced:	NOSC19H19 (1)
Stoich.:	ABCD19E19 (1)
Weight, g/mol:	309.118735
ΔH_f, kcal/mol:	15.1
Dipole, Da:	5.02
IP(EA), eV:	-8.8(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one

Drug info:

PubChemData

Smile

CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1

DOS

IR

Vibrations