Geometry & MOs

Info

ID:	125455
PubChem CID:	50924986
Reduced:	NC26H31 (1)
Stoich.:	AB26C31 (1)
Weight, g/mol:	329.21435
ΔH_f, kcal/mol:	82.96
Dipole, Da:	2.4
IP(EA), eV:	-8.0(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-3-(2-phenyloct-3-yn-2-yl)indole

Drug info:

PubChemData

Smile

CCCCC#CC(CCC)(C1=CC=CC=C1)C2=C(N(C3=CC=CC=C32)C)C

DOS

IR

Vibrations