Geometry & MOs

Info

ID:	363089
PubChem CID:	127310120
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	371.170588
ΔH_f, kcal/mol:	-23.06
Dipole, Da:	5.57
IP(EA), eV:	-8.62(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxoethyl]pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(NC2=C1)C(=O)N3CCOC(C3)CN4C=C(C=N4)C)C

DOS

IR

Vibrations