Geometry & MOs

Info

ID:	145434
PubChem CID:	53524427
Reduced:	O3N4C16H16 (1)
Stoich.:	A3B4C16D16 (1)
Weight, g/mol:	324.111007
ΔH_f, kcal/mol:	-20.44
Dipole, Da:	5.65
IP(EA), eV:	-9.23(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1C=CN=C1COC2=CC=C(C=C2)COC(=O)C3=CC=NN3

DOS

IR

Vibrations