Geometry & MOs

Info

ID:	445428
PubChem CID:	135267006
Reduced:	ClF2O2N5H32C38 (1)
Stoich.:	AB2C2D5E32F38 (1)
Weight, g/mol:	181.126678
ΔH_f, kcal/mol:	-12.93
Dipole, Da:	6.11
IP(EA), eV:	-8.18(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-pentan-2-ylaniline

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=C3C(=C(C=C2)Cl)C(=NN3C)N)[C@H](CC4=CC(=CC(=C4)F)F)NC(=O)CC5=CC6=CC=CC=C6C=C5)O

DOS

IR

Vibrations