Geometry & MOs

Info

ID:	144571
PubChem CID:	53386642
Reduced:	N2H22C25 (1)
Stoich.:	A2B22C25 (1)
Weight, g/mol:	411.162314
ΔH_f, kcal/mol:	137.85
Dipole, Da:	3.1
IP(EA), eV:	-7.97(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-benzylidene-5-(1,3-diphenylprop-2-ynyl)-1H-indol-2-one

Drug info:

PubChemData

Smile

CC1=CN(C2=CC=CC=C12)C3=CC=CC=C3C#CC4=CC=C(C=C4)N(C)C

DOS

IR

Vibrations