Geometry & MOs

Info

ID:	202114
PubChem CID:	79630924
Reduced:	BrFN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	224.225249
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	6.99
IP(EA), eV:	-9.09(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(1-cyclopropylethyl)-3-N-ethyl-1-N-methylcyclohexane-1,3-diamine

Drug info:

PubChemData

Smile

CC(CCCC(C)N)C1=NC2=CC(=C(C=C2N1)F)Br

DOS

IR

Vibrations