Geometry & MOs

Info

ID:	395025
PubChem CID:	135024461
Reduced:	VO5C10H24 (1)
Stoich.:	AB5C10D24 (1)
Weight, g/mol:	319.18441
ΔH_f, kcal/mol:	-315.99
Dipole, Da:	3.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.778458
Charge, e:	1

Chem-info

IUPAC name:

1-phenyl-2-piperidin-1-ium-1-ylsulfanyl-2-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(CC(C)O)O.CC(CC(C)O)O.O=[V]

DOS

IR

Vibrations