Geometry & MOs

Info

ID:	279045
PubChem CID:	103840732
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	242.062219
ΔH_f, kcal/mol:	-38.76
Dipole, Da:	2.84
IP(EA), eV:	-9.39(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-aminopyrrolidin-1-yl)-(4-chloro-3-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C(=O)N2CCC(C2)N

DOS

IR

Vibrations