Geometry & MOs

Info

ID:	275546
PubChem CID:	103816553
Reduced:	FON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	333.99784
ΔH_f, kcal/mol:	-76.46
Dipole, Da:	4.27
IP(EA), eV:	-9.47(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-aminopyrrolidin-1-yl]-(4-fluoro-2-iodophenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C(=O)N2CC[C@@H](C2)N

DOS

IR

Vibrations