Geometry & MOs

Info

ID:	128138
PubChem CID:	51032359
Reduced:	ClNH14C21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	405.113171
ΔH_f, kcal/mol:	139.39
Dipole, Da:	3.43
IP(EA), eV:	-8.82(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-chloro-1-[methoxy(phenyl)methyl]-2-phenylindole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=NC2=C(C=C(C=C2)Cl)C#CC3=CC=CC=C3

DOS

IR

Vibrations