Geometry & MOs

Info

ID:	227478
PubChem CID:	87561826
Reduced:	O4N5H23C26 (1)
Stoich.:	A4B5C23D26 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-40.45
Dipole, Da:	3.98
IP(EA), eV:	-8.63(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzylperoxy-2,3,4,5-tetrahydrooxepine

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=CC(=C2)N3/C(=C/4\C=C(C=CC4=O)CC(C5=CC=C(C=C5)C(=O)N)O)/NNC3=O

DOS

IR

Vibrations