Geometry & MOs

Info

ID:	133769
PubChem CID:	51587803
Reduced:	FON5H22C23 (1)
Stoich.:	ABC5D22E23 (1)
Weight, g/mol:	408.159769
ΔH_f, kcal/mol:	18.26
Dipole, Da:	5.17
IP(EA), eV:	-9.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)F

DOS

IR

Vibrations