Geometry & MOs

Info

ID:	267920
PubChem CID:	103590353
Reduced:	FON2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	291.211076
ΔH_f, kcal/mol:	-80.46
Dipole, Da:	3.18
IP(EA), eV:	-8.36(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations