Geometry & MOs

Info

ID:	157675
PubChem CID:	56436411
Reduced:	N2O5C21H22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	458.04773
ΔH_f, kcal/mol:	-98.09
Dipole, Da:	6.23
IP(EA), eV:	-8.38(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[cyano-(3,4,5-trimethoxyphenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C/C(=O)NC(C#N)C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations