Geometry & MOs

Info

ID:	289587
PubChem CID:	104359860
Reduced:	BrFNOH13C15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	323.08848
ΔH_f, kcal/mol:	-39.73
Dipole, Da:	5.24
IP(EA), eV:	-8.53(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CNC3=CC(=CC=C3)F)Br

DOS

IR

Vibrations