Geometry & MOs

Info

ID:	207441
PubChem CID:	80396918
Reduced:	BrFN2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-25.38
Dipole, Da:	3.36
IP(EA), eV:	-8.99(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-dimethyl-N'-[1-(3-nitrophenyl)propyl]propane-1,3-diamine

Drug info:

PubChemData

Smile

CNCCCN(C)CC1=C(C=C(C=C1)Br)F

DOS

IR

Vibrations