Geometry & MOs

Info

ID:	381372
PubChem CID:	134972089
Reduced:	NO2C25H25 (1)
Stoich.:	AB2C25D25 (1)
Weight, g/mol:	388.227654
ΔH_f, kcal/mol:	-4.13
Dipole, Da:	2.84
IP(EA), eV:	-8.5(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(6-cyclohexyl-5-methyl-4-phenyl-4H-1,3-dioxin-1-ium-2-yl)methyl]-1H-indole

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=C=CC2=CC=CC=C2)OC(=O)CC3=CC4=CC=CC=C4N3

DOS

IR

Vibrations