Geometry & MOs

Info

ID:	275547
PubChem CID:	103816554
Reduced:	FION2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	263.989089
ΔH_f, kcal/mol:	-49.03
Dipole, Da:	3.54
IP(EA), eV:	-9.44(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations