Geometry & MOs

Info

ID:	401514
PubChem CID:	135051501
Reduced:	NPH21C25 (1)
Stoich.:	ABC21D25 (1)
Weight, g/mol:	262.113984
ΔH_f, kcal/mol:	94.77
Dipole, Da:	5.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.859448
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-2-piperidin-1-yl-1,3-oxathiol-2-amine

Drug info:

PubChemData

Smile

C[N+](=P1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations