Geometry & MOs

Info

ID:	23684
PubChem CID:	605381
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-58.82
Dipole, Da:	5.06
IP(EA), eV:	-9.27(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)CCN4C5=CC=CC=C5OC4=O

DOS

IR

Vibrations