Geometry & MOs

Info

ID:	189717
PubChem CID:	77894591
Reduced:	FO3N5C24H24 (1)
Stoich.:	AB3C5D24E24 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-87.01
Dipole, Da:	2.91
IP(EA), eV:	-8.4(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC1COC2=C3N1C=C(C(=O)C3=C(C(=C2NCCCN4C=NC5=CC=CC=C54)F)N)C(=O)C

DOS

IR

Vibrations