Geometry & MOs

Info

ID:	433533
PubChem CID:	135173672
Reduced:	SF3O4N7C40H48 (1)
Stoich.:	AB3C4D7E40F48 (1)
Weight, g/mol:	213.136493
ΔH_f, kcal/mol:	-217.47
Dipole, Da:	6.32
IP(EA), eV:	-8.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-methoxypropoxy)butyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1CCC(CC1)CN2CCN(CC2)C3=CC=C(C=C3)C4=CC5=C(NC=C5C(=O)C6=C(C=CC(=C6F)NS(=O)N7CCC(C7)F)F)N=C4

DOS

IR

Vibrations