Geometry & MOs

Info

ID:	207272
PubChem CID:	80368808
Reduced:	O3N5H9C10 (1)
Stoich.:	A3B5C9D10 (1)
Weight, g/mol:	280.153541
ΔH_f, kcal/mol:	-41.88
Dipole, Da:	12.42
IP(EA), eV:	-9.89(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-tert-butyl-1H-1,2,4-triazole-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C(=O)NC2=CC(=NC=C2)C(=O)O

DOS

IR

Vibrations