Geometry & MOs

Info

ID:	357588
PubChem CID:	127294261
Reduced:	ON3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	-62.93
Dipole, Da:	4.41
IP(EA), eV:	-8.61(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)CC2CCCCN2C

DOS

IR

Vibrations