Geometry & MOs

Info

ID:	142277
PubChem CID:	53008010
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-31.85
Dipole, Da:	4.29
IP(EA), eV:	-8.75(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(piperidine-1-carbonyl)-7-thia-1,9-diazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-trien-12-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)C2=NC3=CC=CC=C3C(=N2)N4CCOCC4

DOS

IR

Vibrations