Geometry & MOs

Info

ID:	397505
PubChem CID:	135030311
Reduced:	NOH19C21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	335.144077
ΔH_f, kcal/mol:	71.16
Dipole, Da:	3.93
IP(EA), eV:	-8.63(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-chlorophenyl)hept-2-ynyl]-1-methylindole

Drug info:

PubChemData

Smile

CN1C=CC=C1C(C#CC2=CC=CC=C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations