Geometry & MOs

Info

ID:	150431
PubChem CID:	53790121
Reduced:	N3O4H25C30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	290.128235
ΔH_f, kcal/mol:	-39.29
Dipole, Da:	7.86
IP(EA), eV:	-8.54(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-but-1-enylphenyl)ethyl]-1,2,3-trifluorobenzene

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC5=CC=CC=C5N4CC6=C(C=CC(=C6)CO)OC

DOS

IR

Vibrations