Geometry & MOs

Info

ID:	355629
PubChem CID:	127289387
Reduced:	ON6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	15.08
Dipole, Da:	5.48
IP(EA), eV:	-8.84(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indol-6-yl-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=C(N=CC=C3)N4CCCCC4

DOS

IR

Vibrations