Geometry & MOs

Info

ID:	397497
PubChem CID:	135030303
Reduced:	NOC22H23 (1)
Stoich.:	ABC22D23 (1)
Weight, g/mol:	331.193614
ΔH_f, kcal/mol:	41.33
Dipole, Da:	0.93
IP(EA), eV:	-8.31(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-methoxyphenyl)hept-2-ynyl]-2-methyl-1H-indole

Drug info:

PubChemData

Smile

CCCCC#CC(C1=CC=C(C=C1)OC)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations