Geometry & MOs

Info

ID:	233582
PubChem CID:	91145511
Reduced:	NO3C18H31 (1)
Stoich.:	AB3C18D31 (1)
Weight, g/mol:	149.084064
ΔH_f, kcal/mol:	-135.08
Dipole, Da:	2.05
IP(EA), eV:	-8.27(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,1-benzoxazole;ethane

Drug info:

PubChemData

Smile

CCCC1=CC(=CC(=C1)CC)NCCOCCOCCOC

DOS

IR

Vibrations