Geometry & MOs

Info

ID:	437194
PubChem CID:	135215746
Reduced:	O2N5F8H25C31 (1)
Stoich.:	A2B5C8D25E31 (1)
Weight, g/mol:	312.202007
ΔH_f, kcal/mol:	-394.32
Dipole, Da:	8.45
IP(EA), eV:	-10.24(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-fluoro-5-tridecan-7-ylbenzene

Drug info:

PubChemData

Smile

CC1CC2=C(C(=NN2CC(=O)N[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N)C(F)(F)F)C(C1)(F)F

DOS

IR

Vibrations