Geometry & MOs

Info

ID:	448885
PubChem CID:	135294276
Reduced:	NF3O3C16H16 (1)
Stoich.:	AB3C3D16E16 (1)
Weight, g/mol:	345.189278
ΔH_f, kcal/mol:	-255.97
Dipole, Da:	3.43
IP(EA), eV:	-8.78(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-fluoro-3,5-dimethylphenyl)-5-phenylphenyl]but-1-en-2-amine

Drug info:

PubChemData

Smile

C1CC(=CC=C1CCNC2=CC(=C(C=C2)O)C(=O)O)C(F)(F)F

DOS

IR

Vibrations