Geometry & MOs

Info

ID:	184160
PubChem CID:	77120805
Reduced:	ClIN2O2C12H12 (1)
Stoich.:	ABC2D2E12F12 (1)
Weight, g/mol:	296.01604
ΔH_f, kcal/mol:	-37.35
Dipole, Da:	9.74
IP(EA), eV:	-8.72(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCC1C(C(=O)NC(=C2C=CC(=O)C(=C2)Cl)N1)I

DOS

IR

Vibrations