Geometry & MOs

Info

ID:	291650
PubChem CID:	113455853
Reduced:	BrNC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	298.10446
ΔH_f, kcal/mol:	52.88
Dipole, Da:	1.99
IP(EA), eV:	-9.47(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromopyridin-2-yl)-4-methyl-N-propylpentan-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C(CC2=NC=C(C=C2)Br)CN

DOS

IR

Vibrations