Geometry & MOs

Info

ID:	288268
PubChem CID:	104314476
Reduced:	BrNC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	303.90337
ΔH_f, kcal/mol:	44.16
Dipole, Da:	1.86
IP(EA), eV:	-9.14(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dibromopyridin-2-yl)but-3-yn-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations