Geometry & MOs

Info

ID:	85387
PubChem CID:	49874690
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	321.143704
ΔH_f, kcal/mol:	-138.6
Dipole, Da:	2.08
IP(EA), eV:	-9.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1-methyl-6-morpholin-4-yl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)C=CN=C1N2CCOCC2

DOS

IR

Vibrations