Geometry & MOs

Info

ID:	267923
PubChem CID:	103590358
Reduced:	FON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	251.179776
ΔH_f, kcal/mol:	-41.07
Dipole, Da:	1.53
IP(EA), eV:	-8.15(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-5-methyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)NCC2=CN=C(C=C2)OC

DOS

IR

Vibrations