Geometry & MOs

Info

ID:	268398
PubChem CID:	103599245
Reduced:	ClO2N7H18C22 (1)
Stoich.:	AB2C7D18E22 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	100.8
Dipole, Da:	3.43
IP(EA), eV:	-9.13(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-cyanoethyl)indol-3-yl]-N-[4-[3-(dimethylamino)propoxy]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)NNC(=O)C3=NNN=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations