Geometry & MOs

Info

ID:	163582
PubChem CID:	58042434
Reduced:	NOH6F7C9 (1)
Stoich.:	ABC6D7E9 (1)
Weight, g/mol:	212.096793
ΔH_f, kcal/mol:	-373.92
Dipole, Da:	5.25
IP(EA), eV:	-10.38(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-(3,3-dimethylbutoxy)benzene

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)OCC(C(F)F)(F)F)C(F)(F)F

DOS

IR

Vibrations