Geometry & MOs

Info

ID:	355286
PubChem CID:	127288243
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	49.17
Dipole, Da:	2.35
IP(EA), eV:	-8.71(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CN(CCO2)C3=C(C=C4CCCC4=N3)C#N

DOS

IR

Vibrations