Geometry & MOs

Info

ID:	267945
PubChem CID:	103590522
Reduced:	FON3C14H22 (1)
Stoich.:	ABC3D14E22 (1)
Weight, g/mol:	240.163791
ΔH_f, kcal/mol:	-82.28
Dipole, Da:	3.15
IP(EA), eV:	-8.57(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-amino-4-fluoro-5-methylanilino)methyl]pentan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)N2CC(CC2CN(C)C)O

DOS

IR

Vibrations