Geometry & MOs

Info

ID:	269511
PubChem CID:	103617813
Reduced:	ClO2N3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	314.00662
ΔH_f, kcal/mol:	-60.3
Dipole, Da:	4.72
IP(EA), eV:	-9.53(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-5-fluorobenzoyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)N)C(=O)C2=NC=CC(=C2)Cl

DOS

IR

Vibrations