Geometry & MOs

Info

ID:	259290
PubChem CID:	103162775
Reduced:	NOC19H31 (1)
Stoich.:	ABC19D31 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-52.14
Dipole, Da:	2.43
IP(EA), eV:	-8.9(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-amino-2-cyclobutylethyl)-3-ethyl-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(C2=CC=C(C=C2)CC(C)C)NC

DOS

IR

Vibrations