Geometry & MOs

Info

ID:	147654
PubChem CID:	53787311
Reduced:	SN4O7C33H56 (1)
Stoich.:	AB4C7D33E56 (1)
Weight, g/mol:	330.104306
ΔH_f, kcal/mol:	-293.34
Dipole, Da:	2.34
IP(EA), eV:	-8.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[difluoro-(4-propylphenyl)methoxy]-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)OC(CNC(C)(C)C)COC2=NSN=C2N3CCOCC3)O)O)O

DOS

IR

Vibrations