Geometry & MOs

Info

ID:	267857
PubChem CID:	103589812
Reduced:	FON3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	251.179776
ΔH_f, kcal/mol:	-74.95
Dipole, Da:	3.77
IP(EA), eV:	-8.24(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)NCCN2CCOCC2

DOS

IR

Vibrations