Geometry & MOs

Info

ID:	182276
PubChem CID:	76869685
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	467.05936
ΔH_f, kcal/mol:	-4.07
Dipole, Da:	4.51
IP(EA), eV:	-7.92(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=CC(=O)NC2=CC(=CC=C2)N3CCN(CC3)CC4CC4

DOS

IR

Vibrations