Geometry & MOs

Info

ID:	220657
PubChem CID:	85201044
Reduced:	N5O5H25C26 (1)
Stoich.:	A5B5C25D26 (1)
Weight, g/mol:	487.197043
ΔH_f, kcal/mol:	50.36
Dipole, Da:	11.97
IP(EA), eV:	-9.22(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hept-2-enoate

Drug info:

PubChemData

Smile

CCCN(CCC)C1=CC(=O)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC4=CC=CC=C4C=C31

DOS

IR

Vibrations