Geometry & MOs

Info

ID:	199957
PubChem CID:	79323078
Reduced:	ClON3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	389.96531
ΔH_f, kcal/mol:	-41.37
Dipole, Da:	2.98
IP(EA), eV:	-9.0(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-8-[2-(bromomethyl)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,5-benzodioxepine

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1Cl)C(=O)CN2CCC(CC2)N

DOS

IR

Vibrations