Geometry & MOs

Info

ID:	81785
PubChem CID:	49855155
Reduced:	ClN2O3H17C20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	411.158292
ΔH_f, kcal/mol:	-49.61
Dipole, Da:	3.28
IP(EA), eV:	-8.83(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-pyridin-3-yl-2-[5-(3,4,5-trimethoxyphenyl)-1H-indol-3-yl]prop-2-enenitrile

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2Cl)C3=CC(=O)C4=C(C3=O)C(=CC=C4)O

DOS

IR

Vibrations