Geometry & MOs

Info

ID:	81247
PubChem CID:	49854504
Reduced:	O3N4F5H17C19 (1)
Stoich.:	A3B4C5D17E19 (1)
Weight, g/mol:	321.111341
ΔH_f, kcal/mol:	-316.7
Dipole, Da:	2.88
IP(EA), eV:	-9.27(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(3-methoxyphenyl)methylideneamino]-4-(1,3-oxazol-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CN2C(=O)C=C(N=C2N([C@@H]1C(F)(F)F)C(=O)C3=C(C=C(C=C3)F)F)N4CCOCC4

DOS

IR

Vibrations