Geometry & MOs

Info

ID:	130528
PubChem CID:	51091094
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-43.71
Dipole, Da:	3.72
IP(EA), eV:	-8.75(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-benzoxazol-3-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCOCC3(C)C

DOS

IR

Vibrations