Geometry & MOs

Info

ID:	227919
PubChem CID:	87563014
Reduced:	SN3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	329.199094
ΔH_f, kcal/mol:	68.33
Dipole, Da:	3.32
IP(EA), eV:	-8.13(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(E)-3-(3-methoxyphenyl)prop-2-enylidene]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C2=C(C=CN1C(=S)N)C3=CC=CC=C3N2

DOS

IR

Vibrations