Geometry & MOs

Info

ID:	168066
PubChem CID:	74919829
Reduced:	ClN2O4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	411.160121
ΔH_f, kcal/mol:	-31.33
Dipole, Da:	3.87
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-3-[3-(4-chlorophenyl)-6-methoxy-7-methyl-1-benzofuran-5-yl]but-2-enamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1OC)C(=CC(=O)NC3=NOC=C3)C)C(=CO2)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations