Geometry & MOs

Info

ID:	288167
PubChem CID:	104312415
Reduced:	BrSN3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	256.05751
ΔH_f, kcal/mol:	42.12
Dipole, Da:	1.38
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-2-yl)-3-methylpentan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CC(C2=NC=C(C=C2)Br)N

DOS

IR

Vibrations