Geometry & MOs

Info

ID:	208904
PubChem CID:	80601768
Reduced:	BrOSN2H9C12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	339.11978
ΔH_f, kcal/mol:	50.04
Dipole, Da:	4.03
IP(EA), eV:	-9.46(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3-bromo-4-methoxyphenyl)methyl]cyclooctyl]methanamine

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=C(C=C(C=C2)Br)C#N

DOS

IR

Vibrations