Geometry & MOs

Info

ID:	295144
PubChem CID:	117518538
Reduced:	BrO2N3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	353.09904
ΔH_f, kcal/mol:	-21.1
Dipole, Da:	3.11
IP(EA), eV:	-8.53(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-bromo-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpyrrolidine

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C(C(=C1)C2=NN(C(=C2)N)C)OC)Br)OC

DOS

IR

Vibrations