Geometry & MOs

Info

ID:	58569
PubChem CID:	24702330
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	277.95133
ΔH_f, kcal/mol:	-116.47
Dipole, Da:	4.8
IP(EA), eV:	-8.74(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)CC#N

DOS

IR

Vibrations