Geometry & MOs

Info

ID:	355292
PubChem CID:	127288249
Reduced:	ON6C19H20 (1)
Stoich.:	AB6C19D20 (1)
Weight, g/mol:	322.190595
ΔH_f, kcal/mol:	80.45
Dipole, Da:	5.21
IP(EA), eV:	-8.67(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C3=NC=NC4=C3OC5=CC=CC=C54

DOS

IR

Vibrations