Geometry & MOs

Info

ID:	419064
PubChem CID:	135107413
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	359.16452
ΔH_f, kcal/mol:	-34.15
Dipole, Da:	3.36
IP(EA), eV:	-8.67(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C3=C(ON=C3N4CCOCC4)C5=CC=CC=C5

DOS

IR

Vibrations