Geometry & MOs

Info

ID:	368582
PubChem CID:	127329566
Reduced:	SN2O2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	385.227789
ΔH_f, kcal/mol:	-113.14
Dipole, Da:	2.74
IP(EA), eV:	-8.65(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

CSC1CCCC(C1)NC(=O)[C@H]2CCC(=O)N2

DOS

IR

Vibrations