Geometry & MOs

Info

ID:	435219
PubChem CID:	135184879
Reduced:	SN2O5C26H32 (1)
Stoich.:	AB2C5D26E32 (1)
Weight, g/mol:	208.126343
ΔH_f, kcal/mol:	-169.36
Dipole, Da:	6.26
IP(EA), eV:	-9.05(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-methylphenyl)-4-methylpent-4-en-2-ol

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C1CCCC1)C2=CC=CC=C2)N([C@@H](C)C(=O)O)C(=S)C3=NC=CC(=C3OC(=O)C)OC

DOS

IR

Vibrations