Geometry & MOs

Info

ID:	284472
PubChem CID:	104048472
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	257.157978
ΔH_f, kcal/mol:	-30.36
Dipole, Da:	6.5
IP(EA), eV:	-8.79(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)N1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)C)C=O

DOS

IR

Vibrations