Geometry & MOs

Info

ID:	414309
PubChem CID:	135087265
Reduced:	OF3N4C15H21 (1)
Stoich.:	AB3C4D15E21 (1)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	-179.72
Dipole, Da:	4.1
IP(EA), eV:	-9.24(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC=C(C=N1)C(=O)N2CCCN(CC2)CCC(F)(F)F

DOS

IR

Vibrations