Geometry & MOs

Info

ID:	355287
PubChem CID:	127288244
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	341.196408
ΔH_f, kcal/mol:	58.01
Dipole, Da:	5.56
IP(EA), eV:	-8.97(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(9-ethylpurin-6-yl)morpholine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations