Geometry & MOs

Info

ID:	198509
PubChem CID:	79112424
Reduced:	BrO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	292.195092
ΔH_f, kcal/mol:	4.06
Dipole, Da:	1.77
IP(EA), eV:	-9.15(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-ethyl-4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

CCN(C1CCC(CC1)N)C2=C(C=CC(=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations