Geometry & MOs

Info

ID:	414658
PubChem CID:	135087617
Reduced:	O4N7C19H23 (1)
Stoich.:	A4B7C19D23 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-39.81
Dipole, Da:	5.35
IP(EA), eV:	-9.8(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(=O)N2CCN(CC2)C(=O)CNC(=O)C3=C(C=CC=N3)OCCN4C=C1N=N4

DOS

IR

Vibrations