Geometry & MOs

Info

ID:	294973
PubChem CID:	117510091
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	-78.8
Dipole, Da:	3.95
IP(EA), eV:	-8.33(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C(=C1)Br)OC)OC2CCCC2)N

DOS

IR

Vibrations