Geometry & MOs

Info

ID:	432544
PubChem CID:	135172677
Reduced:	F3O8C35H37 (1)
Stoich.:	A3B8C35D37 (1)
Weight, g/mol:	279.1987
ΔH_f, kcal/mol:	-437.48
Dipole, Da:	4.9
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(4-ethylphenyl)ethenyl]phenyl]butan-1-amine

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCOC1=CC(=CC(=C1)CCC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC(F)(F)F)OCOC(=O)C(=C)CO

DOS

IR

Vibrations