Geometry & MOs

Info

ID:	198843
PubChem CID:	79160745
Reduced:	BrN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	262.111756
ΔH_f, kcal/mol:	-120.32
Dipole, Da:	5.66
IP(EA), eV:	-9.22(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C=C1)NC(=O)N2CCCC2)Br

DOS

IR

Vibrations