Geometry & MOs

Info

ID:	403875
PubChem CID:	135062355
Reduced:	BSO2C20H31 (1)
Stoich.:	ABC2D20E31 (1)
Weight, g/mol:	291.1987
ΔH_f, kcal/mol:	-150.08
Dipole, Da:	3.25
IP(EA), eV:	-8.87(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-adamantyl)-2-cyclopropylindole

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C(\CC2CC2)/C3=CC=CS3)/CCCC

DOS

IR

Vibrations