Geometry & MOs

Info

ID:	178907
PubChem CID:	76400081
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	374.175419
ΔH_f, kcal/mol:	48.25
Dipole, Da:	7.73
IP(EA), eV:	-8.76(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl]-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C2CC(C1C=C2)CCNC(=O)C3CC(NN3)CN4C=NC5=CC=CC=C54

DOS

IR

Vibrations