Geometry & MOs

Info

ID:	295173
PubChem CID:	117520243
Reduced:	BrNO2C18H26 (1)
Stoich.:	ABC2D18E26 (1)
Weight, g/mol:	367.11469
ΔH_f, kcal/mol:	-81.9
Dipole, Da:	4.07
IP(EA), eV:	-8.5(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(8-bromo-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC2CCCC2)CC3CCCCN3)Br

DOS

IR

Vibrations