Geometry & MOs

Info

ID:	196751
PubChem CID:	78874383
Reduced:	ClO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	248.094963
ΔH_f, kcal/mol:	-120.35
Dipole, Da:	2.07
IP(EA), eV:	-9.56(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(1H-indol-3-yl)-3-pyridin-3-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCOC(C)C(=O)OC1=CC(=CC=C1)Cl

DOS

IR

Vibrations