Geometry & MOs

Info

ID:	68294
PubChem CID:	46508131
Reduced:	N3O4H23C24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	450.103871
ΔH_f, kcal/mol:	-33.62
Dipole, Da:	2.91
IP(EA), eV:	-8.4(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[3-[(Z)-[5-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2=N/C(=C\C3=CN(N=C3)CC4=CC=CC=C4)/C(=O)O2)OCC

DOS

IR

Vibrations