Geometry & MOs

Info

ID:	415391
PubChem CID:	135088385
Reduced:	FO5N6C27H31 (1)
Stoich.:	AB5C6D27E31 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-74.74
Dipole, Da:	10.05
IP(EA), eV:	-7.09(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-[(2-methyl-4-oxo-1H-pyrimidin-6-yl)methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)NCCN3CCN(CC3)C(=O)C4=C(C=CC(=C4)F)OCCCN5C=C(CO2)N=N5

DOS

IR

Vibrations