Geometry & MOs

Info

ID:	321560
PubChem CID:	126666614
Reduced:	O2N5H23C24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	176.019747
ΔH_f, kcal/mol:	36.63
Dipole, Da:	4.3
IP(EA), eV:	-9.29(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetonitrile

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=NC=C(C=C5)OC

DOS

IR

Vibrations