Geometry & MOs

Info

ID:	234575
PubChem CID:	92298722
Reduced:	N2O2F3C17H19 (1)
Stoich.:	A2B2C3D17E19 (1)
Weight, g/mol:	348.111007
ΔH_f, kcal/mol:	-215.83
Dipole, Da:	9.83
IP(EA), eV:	-9.16(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-4-[(E)-[2-(2-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)C

DOS

IR

Vibrations