Geometry & MOs

Info

ID:	168094
PubChem CID:	74923621
Reduced:	N2O4C27H34 (1)
Stoich.:	A2B4C27D34 (1)
Weight, g/mol:	469.225308
ΔH_f, kcal/mol:	-111.9
Dipole, Da:	3.57
IP(EA), eV:	-8.65(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-3-[6-ethoxy-3-(3-methoxyphenyl)-7-methyl-1-benzofuran-5-yl]but-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=COC2=C1C)C3=CC(=CC=C3)OC)C(=CC(=O)NCCCN(C)C)C

DOS

IR

Vibrations