Geometry & MOs

Info

ID:	269425
PubChem CID:	103617437
Reduced:	INO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	247.11209
ΔH_f, kcal/mol:	2.2
Dipole, Da:	4.21
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N(CC2=CC=CO2)C3CC3)I

DOS

IR

Vibrations