Geometry & MOs

Info

ID:	147897
PubChem CID:	53787556
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	374.130521
ΔH_f, kcal/mol:	-101.75
Dipole, Da:	5.46
IP(EA), eV:	-8.99(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[difluoro-(4-pentylphenyl)methoxy]-4-(trifluoromethoxy)benzene

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)C2(CCC(CC2)O)C3=CC=CC=C3

DOS

IR

Vibrations