Geometry & MOs

Info

ID:	146700
PubChem CID:	53731781
Reduced:	OH8C10 (1)
Stoich.:	AB8C10 (1)
Weight, g/mol:	529.345698
ΔH_f, kcal/mol:	34.24
Dipole, Da:	1.78
IP(EA), eV:	-9.42(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[3-(1-tert-butylpiperidin-4-yl)-1H-indol-5-yl]-1-cyclobutylpent-1-enyl]naphthalene-1-carbonitrile

Drug info:

PubChemData

Smile

C1C(C1=C=O)C2=CC=CC=C2

DOS

IR

Vibrations