Geometry & MOs

Info

ID:	190940
PubChem CID:	78080810
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	348.098918
ΔH_f, kcal/mol:	43.42
Dipole, Da:	5.95
IP(EA), eV:	-8.62(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1C3=CC=C(O3)CN4CCC5C4CNC5

DOS

IR

Vibrations