Geometry & MOs

Info

ID:	294791
PubChem CID:	117495105
Reduced:	BrNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	309.07283
ΔH_f, kcal/mol:	-18.2
Dipole, Da:	2.3
IP(EA), eV:	-8.97(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C=C2CCCCC2=C1Br)C3(CC3)CN

DOS

IR

Vibrations