Geometry & MOs

Info

ID:	20221
PubChem CID:	582724
Reduced:	NC18H23 (1)
Stoich.:	AB18C23 (1)
Weight, g/mol:	253.18305
ΔH_f, kcal/mol:	27.59
Dipole, Da:	1.88
IP(EA), eV:	-8.27(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,6-dimethylocta-3,6-dienyl)-1H-indole

Drug info:

PubChemData

Smile

CC=C(C)CC=C(C)CCC1=CNC2=CC=CC=C21

DOS

IR

Vibrations