Geometry & MOs

Info

ID:	288332
PubChem CID:	104315073
Reduced:	Br2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	418.04422
ΔH_f, kcal/mol:	50.82
Dipole, Da:	4.08
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dibromopyridin-2-yl)-(3,5-dimethylcyclohexyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CC1=CN(N=C1)CC)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations