Geometry & MOs

Info

ID:	246542
PubChem CID:	103061186
Reduced:	SN5C9H17 (1)
Stoich.:	AB5C9D17 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	63.57
Dipole, Da:	3.98
IP(EA), eV:	-8.43(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxan-4-ol

Drug info:

PubChemData

Smile

CN(CCSC)CC1=CN=C(C=N1)NN

DOS

IR

Vibrations