Geometry & MOs

Info

ID:	190639
PubChem CID:	78036062
Reduced:	O3N5H33C34 (1)
Stoich.:	A3B5C33D34 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	2.21
Dipole, Da:	2.4
IP(EA), eV:	-8.48(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-5-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1CC(NC1)C(=O)NC2=CC=C(C=C2)C#CC3=CC4=C(C=C3)N=C(N4)C5CCCN5C(=O)CC6=CC=CC=C6

DOS

IR

Vibrations