Geometry & MOs

Info

ID:	150909
PubChem CID:	53790606
Reduced:	NPS2C4H8 (1)
Stoich.:	ABC2D4E8 (1)
Weight, g/mol:	430.262028
ΔH_f, kcal/mol:	2.33
Dipole, Da:	2.88
IP(EA), eV:	-9.12(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cycloocten-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide

Drug info:

PubChemData

Smile

CCC=P(=S)NC=S

DOS

IR

Vibrations