Geometry & MOs

Info

ID:	280123
PubChem CID:	103847039
Reduced:	BrSN3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	288.065652
ΔH_f, kcal/mol:	70.17
Dipole, Da:	4.65
IP(EA), eV:	-8.42(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNC2=NC=CC3=C2C=CC=C3Br

DOS

IR

Vibrations