Geometry & MOs

Info

ID:	196749
PubChem CID:	78874381
Reduced:	NO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	307.120843
ΔH_f, kcal/mol:	-30.35
Dipole, Da:	7.0
IP(EA), eV:	-8.44(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CNC3=CC=CC=C32)OC

DOS

IR

Vibrations