Geometry & MOs

Info

ID:	202710
PubChem CID:	79712262
Reduced:	BrN4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	265.104897
ΔH_f, kcal/mol:	63.14
Dipole, Da:	1.48
IP(EA), eV:	-8.74(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(5-fluoropyridin-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N(CCCN)CC2=CN=CC=C2)Br

DOS

IR

Vibrations