Geometry & MOs

Info

ID:	288341
PubChem CID:	104315139
Reduced:	Br2N2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	411.99727
ΔH_f, kcal/mol:	0.17
Dipole, Da:	2.31
IP(EA), eV:	-8.12(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(C1=C(C=C(C=N1)Br)Br)C(C)CC

DOS

IR

Vibrations