Geometry & MOs

Info

ID:	418785
PubChem CID:	135106796
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	349.146013
ΔH_f, kcal/mol:	-25.14
Dipole, Da:	4.52
IP(EA), eV:	-8.87(-0.05)
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-hydroxy-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CNCCC1N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations