Geometry & MOs

Info

ID:	248727
PubChem CID:	103083994
Reduced:	BrN3C17H20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	291.96698
ΔH_f, kcal/mol:	32.87
Dipole, Da:	6.09
IP(EA), eV:	-9.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=C3CC(CCC3=N2)CN)C

DOS

IR

Vibrations