Geometry & MOs

Info

ID:	420753
PubChem CID:	135114765
Reduced:	ON3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	19.2
Dipole, Da:	2.53
IP(EA), eV:	-9.32(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]pyridin-2-yl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CC(=NN3)C4=CC=CC=N4

DOS

IR

Vibrations