Geometry & MOs

Info

ID:	187301
PubChem CID:	77556571
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	171.08079
ΔH_f, kcal/mol:	-83.11
Dipole, Da:	3.12
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminoacetyl)-4-fluoropyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

COC1=NC2=C(C=CN=C2C=C1)CCN3CCC(C3)CNC(=O)O

DOS

IR

Vibrations