Geometry & MOs

Info

ID:	227377
PubChem CID:	87561578
Reduced:	Br2N2O6C29H30 (1)
Stoich.:	A2B2C6D29E30 (1)
Weight, g/mol:	334.225643
ΔH_f, kcal/mol:	-150.7
Dipole, Da:	1.56
IP(EA), eV:	-8.53(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[1-(4,5-dihydro-3H-1,2-benzodioxepin-7-yl)-2-methylpentan-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)N(CC(=O)NOC3CCCCO3)C(=O)C4=CC=CC=C4)Br)O

DOS

IR

Vibrations