Geometry & MOs

Info

ID:	195866
PubChem CID:	78744166
Reduced:	N2O2C20H23 (1)
Stoich.:	A2B2C20D23 (1)
Weight, g/mol:	409.127385
ΔH_f, kcal/mol:	-11.81
Dipole, Da:	6.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756205
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)OC)[NH2+]CC(C1=CC=CC=C1)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations