Geometry & MOs

Info

ID:	420644
PubChem CID:	135114567
Reduced:	NO3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	305.11757
ΔH_f, kcal/mol:	-108.47
Dipole, Da:	6.43
IP(EA), eV:	-9.46(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC=C(C=C2)C(=O)N3CCCC(C3)CCC(=O)O

DOS

IR

Vibrations