Geometry & MOs

Info

ID:	268190
PubChem CID:	103598301
Reduced:	F2N2O4C17H18 (1)
Stoich.:	A2B2C4D17E18 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-209.2
Dipole, Da:	3.48
IP(EA), eV:	-9.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CNC(=O)C=CC2=CC(=C(C=C2)OC(F)F)OC)C

DOS

IR

Vibrations