Geometry & MOs

Info

ID:	60931
PubChem CID:	26703309
Reduced:	F2N2O7H20C25 (1)
Stoich.:	A2B2C7D20E25 (1)
Weight, g/mol:	348.147393
ΔH_f, kcal/mol:	-228.83
Dipole, Da:	6.03
IP(EA), eV:	-8.79(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C=CC(=C2)NC(=O)/C=C/C3=CC(=CC4=C3OCOC4)[N+](=O)[O-])OC(F)F

DOS

IR

Vibrations