Geometry & MOs

Info

ID:	317344
PubChem CID:	126636669
Reduced:	FNO7C21H28 (1)
Stoich.:	ABC7D21E28 (1)
Weight, g/mol:	232.096026
ΔH_f, kcal/mol:	-350.44
Dipole, Da:	2.47
IP(EA), eV:	-9.1(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(benzotriazol-1-yl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1/C=C(\C([C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)NCCO)O)C(=O)O[C@H]1C)O)O)O)/F

DOS

IR

Vibrations