Geometry & MOs

Info

ID:	294971
PubChem CID:	117509983
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	-70.21
Dipole, Da:	3.29
IP(EA), eV:	-8.83(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-bromo-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1CC2CCCCN2)Br)OC)OC

DOS

IR

Vibrations