Geometry & MOs

Info

ID:	421505
PubChem CID:	135116134
Reduced:	FNO4C18H26 (1)
Stoich.:	ABC4D18E26 (1)
Weight, g/mol:	362.231791
ΔH_f, kcal/mol:	-221.66
Dipole, Da:	3.77
IP(EA), eV:	-8.84(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)CC3=CC(=C(C=C3)F)OC)OC[C@@H]1O)O

DOS

IR

Vibrations