Geometry & MOs

Info

ID:	288342
PubChem CID:	104315148
Reduced:	Br2N2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	419.94713
ΔH_f, kcal/mol:	30.59
Dipole, Da:	1.35
IP(EA), eV:	-8.38(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(C1=CC(=CC(=C1)C)C)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations