Geometry & MOs

Info

ID:	225990
PubChem CID:	87246551
Reduced:	BrClFNO3H8C14 (1)
Stoich.:	ABCDE3F8G14 (1)
Weight, g/mol:	201.220498
ΔH_f, kcal/mol:	-35.59
Dipole, Da:	6.11
IP(EA), eV:	-10.25(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-octylpropane-1,2,3-triamine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C(C=O)C2=C(C=CC(=C2)Br)[N+](=O)[O-])F

DOS

IR

Vibrations