Geometry & MOs

Info

ID:	357863
PubChem CID:	127295363
Reduced:	OSN2C6H10 (2)
Stoich.:	ABC2D6E10 (2)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-52.24
Dipole, Da:	9.82
IP(EA), eV:	-8.83(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C3=NC=C(S3)S(=O)(=O)N

DOS

IR

Vibrations