Geometry & MOs

Info

ID:	151375
PubChem CID:	53801160
Reduced:	N3O4F6C30H31 (1)
Stoich.:	A3B4C6D30E31 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-474.08
Dipole, Da:	2.65
IP(EA), eV:	-8.68(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-dioxolan-2-yl)hex-1-en-3-ol

Drug info:

PubChemData

Smile

CCOC(=O)N1[C@@H](C[C@@H](C2=C1C=C3CCCC3=C2)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(=O)N5CCCC5=O)C

DOS

IR

Vibrations