Geometry & MOs

Info

ID:	168068
PubChem CID:	74919971
Reduced:	NCl2O4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	405.194008
ΔH_f, kcal/mol:	-123.11
Dipole, Da:	3.79
IP(EA), eV:	-8.73(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-methoxy-7-methyl-3-(4-methylphenyl)-1-benzofuran-5-yl]-1-morpholin-4-ylbut-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1OC)C(=CC(=O)NC(C)COC)C)C(=CO2)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations