Geometry & MOs

Info

ID:	168027
PubChem CID:	74914301
Reduced:	NO5C30H31 (1)
Stoich.:	AB5C30D31 (1)
Weight, g/mol:	482.220557
ΔH_f, kcal/mol:	-113.97
Dipole, Da:	3.54
IP(EA), eV:	-8.26(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]-N-(4-morpholin-4-ylphenyl)but-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)C(=CC(=O)NCCC4=CC(=C(C=C4)OC)OC)C)OC

DOS

IR

Vibrations