Geometry & MOs

Info

ID:	361990
PubChem CID:	127305336
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	357.154938
ΔH_f, kcal/mol:	-77.84
Dipole, Da:	7.43
IP(EA), eV:	-9.33(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-oxo-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CC2)C(=O)N3CCOC(C3)CN4C=CC=N4

DOS

IR

Vibrations