Geometry & MOs

Info

ID:	372375
PubChem CID:	131296655
Reduced:	BrO2N3H6C8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	248.034352
ΔH_f, kcal/mol:	59.28
Dipole, Da:	4.62
IP(EA), eV:	-9.81(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-thiazol-5-yl)-2-(trifluoromethyl)-1H-imidazol-5-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)OC2=NON=C2N

DOS

IR

Vibrations