Geometry & MOs

Info

ID:	445978
PubChem CID:	135270880
Reduced:	FN3O4H16C17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-141.56
Dipole, Da:	1.9
IP(EA), eV:	-9.41(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(cyclopropylmethoxy)hexyl]oxirane

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C3C=CN(C3=NC=N2)C4[C@@H]([C@@H]([C@H](O4)CO)O)O)F

DOS

IR

Vibrations