Geometry & MOs

Info

ID:	159427
PubChem CID:	57280139
Reduced:	FC26H39 (1)
Stoich.:	AB26C39 (1)
Weight, g/mol:	704.347489
ΔH_f, kcal/mol:	-82.85
Dipole, Da:	2.14
IP(EA), eV:	-9.32(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-hydroxy-4-methyl-3-[4-(2-phenylethynyl)phenyl]-2-(1,2,4-triazol-1-yl)pentoxy]-4-methyl-3-[4-(2-phenylethynyl)phenyl]-2-(1,2,4-triazol-1-yl)pentan-3-ol

Drug info:

PubChemData

Smile

CCCCCCC1CCC(CC1)C(CC2CCC=CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations