Geometry & MOs

Info

ID:	389028
PubChem CID:	134990930
Reduced:	OCl2N3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	371.03433
ΔH_f, kcal/mol:	83.89
Dipole, Da:	4.53
IP(EA), eV:	-9.24(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(9-bromo-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ylidene)-1-methylpiperidine

Drug info:

PubChemData

Smile

CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3Cl)O

DOS

IR

Vibrations