Geometry & MOs

Info

ID:	289628
PubChem CID:	104361511
Reduced:	BrNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	337.10413
ΔH_f, kcal/mol:	-33.77
Dipole, Da:	3.08
IP(EA), eV:	-8.66(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-ethylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(CCC1=CC(=CC2=C1OCC2)Br)NC

DOS

IR

Vibrations