Geometry & MOs

Info

ID:	295158
PubChem CID:	117518908
Reduced:	BrN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	354.09429
ΔH_f, kcal/mol:	-29.89
Dipole, Da:	2.92
IP(EA), eV:	-8.61(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-bromo-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)methyl]piperazine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC2CC2)CCN3CCNCC3)Br

DOS

IR

Vibrations