Geometry & MOs

Info

ID:	445220
PubChem CID:	135265120
Reduced:	NF3C17H26 (1)
Stoich.:	AB3C17D26 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-184.28
Dipole, Da:	5.91
IP(EA), eV:	-10.2(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpentyl)-2-nitrobenzene

Drug info:

PubChemData

Smile

CCCCCCC(C)(CC)CC1=CN=C(C=C1)C(F)(F)F

DOS

IR

Vibrations