Geometry & MOs

Info

ID:	355284
PubChem CID:	127288241
Reduced:	N5C19H23 (1)
Stoich.:	A5B19C23 (1)
Weight, g/mol:	310.154209
ΔH_f, kcal/mol:	81.23
Dipole, Da:	4.22
IP(EA), eV:	-8.63(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CCN(CC2)C3=C(C=C4CCCC4=N3)C#N

DOS

IR

Vibrations