Geometry & MOs

Info

ID:	196748
PubChem CID:	78874174
Reduced:	ClON3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	307.120843
ΔH_f, kcal/mol:	24.27
Dipole, Da:	6.08
IP(EA), eV:	-8.71(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dimethoxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC1=C(C=NN1CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations