Geometry & MOs

Info

ID:	125454
PubChem CID:	50924978
Reduced:	NSO4C24H33 (1)
Stoich.:	ABC4D24E33 (1)
Weight, g/mol:	357.24565
ΔH_f, kcal/mol:	-144.97
Dipole, Da:	5.65
IP(EA), eV:	-8.1(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-3-(4-phenyldec-5-yn-4-yl)indole

Drug info:

PubChemData

Smile

CCCCCCC1C2=CC(=C(C=C2CCN1S(=O)(=O)C3=CC=C(C=C3)C)OC)OC

DOS

IR

Vibrations