Geometry & MOs

Info

ID:	144582
PubChem CID:	53386820
Reduced:	ClO5H21C26 (1)
Stoich.:	AB5C21D26 (1)
Weight, g/mol:	413.177964
ΔH_f, kcal/mol:	-105.32
Dipole, Da:	6.6
IP(EA), eV:	-9.02(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OC(=O)[C@]2(C3=CC=CC=C3)[C@H](C4=CC=C(C=C4)Cl)C(=C)C(=O)OC

DOS

IR

Vibrations