Geometry & MOs

Info

ID:	431426
PubChem CID:	135171501
Reduced:	ON4C10H12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	318.179522
ΔH_f, kcal/mol:	-3.41
Dipole, Da:	6.21
IP(EA), eV:	-9.65(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-1-[2-(2-fluoro-4-methylphenyl)propyl]-4-methoxy-3-propan-2-ylbenzene

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(C=C1)C(=O)N=C(N2)N

DOS

IR

Vibrations