Geometry & MOs

Info

ID:	310328
PubChem CID:	126578850
Reduced:	FCl2O3N4C28H35 (1)
Stoich.:	AB2C3D4E28F35 (1)
Weight, g/mol:	467.9871
ΔH_f, kcal/mol:	-175.68
Dipole, Da:	5.1
IP(EA), eV:	-8.32(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-7-[(6-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Cl)Cl)NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4CCCN4C(=O)OC(C)(C)C)F

DOS

IR

Vibrations