Geometry & MOs

Info

ID:	294942
PubChem CID:	117507006
Reduced:	BrNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	323.08848
ΔH_f, kcal/mol:	-49.42
Dipole, Da:	2.68
IP(EA), eV:	-8.57(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC(=C2)Br)CC3CCCCN3)C

DOS

IR

Vibrations