Geometry & MOs

Info

ID:	294666
PubChem CID:	117480181
Reduced:	BrNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	297.03644
ΔH_f, kcal/mol:	-38.15
Dipole, Da:	2.44
IP(EA), eV:	-9.5(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-bromospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)OC2CC2)C(=O)CCN

DOS

IR

Vibrations