Geometry & MOs

Info

ID:	253221
PubChem CID:	103116890
Reduced:	N3O4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	-106.72
Dipole, Da:	4.53
IP(EA), eV:	-9.57(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-4-hydroxy-1-(1-methylindazole-3-carbonyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@@H](CN([C@@H]1C(=O)O)C(=O)C2=C3C=CC=CN3N=C2)O

DOS

IR

Vibrations