Geometry & MOs

Info

ID:	168015
PubChem CID:	74912908
Reduced:	NO3C25H29 (1)
Stoich.:	AB3C25D29 (1)
Weight, g/mol:	369.113171
ΔH_f, kcal/mol:	-87.52
Dipole, Da:	4.24
IP(EA), eV:	-8.5(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-3-(6-methoxy-2,3-dimethyl-1-benzofuran-5-yl)but-2-enamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)C=C(C)C2=C(C=C3C(=C2)C(=C(O3)C)C)OC

DOS

IR

Vibrations