Geometry & MOs

Info

ID:	415195
PubChem CID:	135088186
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	25.87
Dipole, Da:	3.94
IP(EA), eV:	-8.99(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-(1-ethyl-5-methylpyrazole-4-carbonyl)-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CN=C(N=C1)N[C@@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations