Geometry & MOs

Info

ID:	275550
PubChem CID:	103816562
Reduced:	FON3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	349.96829
ΔH_f, kcal/mol:	-52.56
Dipole, Da:	3.31
IP(EA), eV:	-9.76(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone

Drug info:

PubChemData

Smile

C1CN(C[C@H]1N)C(=O)C2=CC(=CN=C2)F

DOS

IR

Vibrations