Geometry & MOs

Info

ID:	395102
PubChem CID:	135024663
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	377.06827
ΔH_f, kcal/mol:	-128.85
Dipole, Da:	3.58
IP(EA), eV:	-8.34(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(2-methylphenyl)-3-phenylselanylindole

Drug info:

PubChemData

Smile

CN1CCC[C@@]23C4CC(CC2=O)CC3([C@H](CC1)O)C(=O)C4

DOS

IR

Vibrations