Geometry & MOs

Info

ID:	228992
PubChem CID:	87566711
Reduced:	O6C11H24 (1)
Stoich.:	A6B11C24 (1)
Weight, g/mol:	482.241687
ΔH_f, kcal/mol:	-302.45
Dipole, Da:	4.7
IP(EA), eV:	-10.23(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazol-5-yl]-2-hydroxypentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCOCC(=O)O.CC(CO)OCC(C)O

DOS

IR

Vibrations