Geometry & MOs

Info

ID:	355575
PubChem CID:	127289333
Reduced:	ON7C17H21 (1)
Stoich.:	AB7C17D21 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	71.78
Dipole, Da:	8.62
IP(EA), eV:	-8.97(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methylfuro[3,2-b]pyridin-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)N(N=N4)C

DOS

IR

Vibrations