Geometry & MOs

Info

ID:	397500
PubChem CID:	135030306
Reduced:	ON2C20H30 (1)
Stoich.:	AB2C20D30 (1)
Weight, g/mol:	331.193614
ΔH_f, kcal/mol:	0.65
Dipole, Da:	1.4
IP(EA), eV:	-8.08(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-methoxyphenyl)hept-2-ynyl]-1-methylindole

Drug info:

PubChemData

Smile

CCCCC#CC(C1=CC=CC=C1OC)N2CCN(CC2)CC

DOS

IR

Vibrations