Geometry & MOs

Info

ID:	228936
PubChem CID:	87566293
Reduced:	O5C7H14 (2)
Stoich.:	A5B7C14 (2)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-475.12
Dipole, Da:	6.07
IP(EA), eV:	-10.14(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol

Drug info:

PubChemData

Smile

CCCCOC(C(C(=O)O)O)C(=O)O.C(COCCOCCO)O

DOS

IR

Vibrations