Geometry & MOs

Info

ID:	433786
PubChem CID:	135173928
Reduced:	N3O3H16C19 (2)
Stoich.:	A3B3C16D19 (2)
Weight, g/mol:	213.136493
ΔH_f, kcal/mol:	-55.21
Dipole, Da:	6.78
IP(EA), eV:	-8.84(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-methoxyhexoxymethyl)-1,2-oxazole

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)OCCOC4=CC=C(C=C4)N5C=C(C(=N5)C6=CC=NC=C6)C7=CC8=C(C=C7)/C(=N/O)/CC8

DOS

IR

Vibrations