Geometry & MOs

Info

ID:	267422
PubChem CID:	103582177
Reduced:	BrClN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	359.07639
ΔH_f, kcal/mol:	10.3
Dipole, Da:	1.29
IP(EA), eV:	-8.76(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-bromo-3-chloropyridin-2-yl)-N'-cycloheptylpropane-1,3-diamine

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CCCN)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations