Geometry & MOs

Info

ID:	279046
PubChem CID:	103840733
Reduced:	ClFON2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	166.110613
ΔH_f, kcal/mol:	-73.96
Dipole, Da:	4.68
IP(EA), eV:	-9.7(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminopyrrolidin-1-yl)pent-4-yn-1-one

Drug info:

PubChemData

Smile

C1CN(CC1N)C(=O)C2=CC(=C(C=C2)Cl)F

DOS

IR

Vibrations