Geometry & MOs

Info

ID:	157748
PubChem CID:	56436923
Reduced:	N3O6C21H25 (1)
Stoich.:	A3B6C21D25 (1)
Weight, g/mol:	444.179755
ΔH_f, kcal/mol:	-187.72
Dipole, Da:	3.79
IP(EA), eV:	-9.0(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[cyano-(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C(=O)NC(C#N)C2=CC(=C(C(=C2)OC)OC)OC)C

DOS

IR

Vibrations