Geometry & MOs

Info

ID:	81646
PubChem CID:	49854959
Reduced:	NO2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	244.100048
ΔH_f, kcal/mol:	-50.77
Dipole, Da:	4.46
IP(EA), eV:	-8.43(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(1H-indol-3-yl)-3-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2/C(=C/C3=CC(=C(C(=C3)OC)O)OC)/C#N

DOS

IR

Vibrations