Geometry & MOs

Info

ID:	344502
PubChem CID:	127268086
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-55.91
Dipole, Da:	5.84
IP(EA), eV:	-8.8(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-1-yl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CCN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations