Geometry & MOs

Info

ID:	374420
PubChem CID:	131328971
Reduced:	BrOH9C10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	296.99353
ΔH_f, kcal/mol:	2.27
Dipole, Da:	4.57
IP(EA), eV:	-9.69(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-bromopyridin-3-yl)-5-methyl-1,3-thiazol-4-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\C=O)/Br

DOS

IR

Vibrations