Geometry & MOs

Info

ID:	125456
PubChem CID:	50924987
Reduced:	NC24H27 (1)
Stoich.:	AB24C27 (1)
Weight, g/mol:	287.1674
ΔH_f, kcal/mol:	81.45
Dipole, Da:	3.88
IP(EA), eV:	-8.02(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-3-(2-methyl-4-phenylbut-3-yn-2-yl)indole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations