Geometry & MOs

Info

ID:	151386
PubChem CID:	53801176
Reduced:	SN6C16H26 (1)
Stoich.:	AB6C16D26 (1)
Weight, g/mol:	424.160536
ΔH_f, kcal/mol:	64.75
Dipole, Da:	5.22
IP(EA), eV:	-8.36(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-1-fluoroethenoxy)-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene

Drug info:

PubChemData

Smile

CSC1=NN2CC3CCCC(C3=NC2=N1)NCCN4CCCC4

DOS

IR

Vibrations