Geometry & MOs

Info

ID:	288371
PubChem CID:	104315813
Reduced:	BrN4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	362.88634
ΔH_f, kcal/mol:	51.11
Dipole, Da:	3.17
IP(EA), eV:	-8.6(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,5-dibromopyridin-2-yl)-1,3-thiazol-4-yl]ethanamine

Drug info:

PubChemData

Smile

CC1=C2CC(CCC2=NC(=N1)C3=C(C=CC=N3)Br)CNC

DOS

IR

Vibrations