Geometry & MOs

Info

ID:	142454
PubChem CID:	53035935
Reduced:	OSN4H14C22 (1)
Stoich.:	ABC4D14E22 (1)
Weight, g/mol:	389.246713
ΔH_f, kcal/mol:	154.83
Dipole, Da:	3.95
IP(EA), eV:	-8.88(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-methylindol-3-yl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)C4=NOC(=N4)C5=CC=CC=N5

DOS

IR

Vibrations