Geometry & MOs

Info

ID:	355285
PubChem CID:	127288242
Reduced:	ON6C16H18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	66.83
Dipole, Da:	4.29
IP(EA), eV:	-9.19(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=CC(=C(N=C2C1)N3CCOC(C3)CN4C=NC=N4)C#N

DOS

IR

Vibrations