Geometry & MOs

Info

ID:	145853
PubChem CID:	53602243
Reduced:	ON6C16H16 (1)
Stoich.:	AB6C16D16 (1)
Weight, g/mol:	344.176087
ΔH_f, kcal/mol:	71.57
Dipole, Da:	2.48
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-(diethylamino)-3-fluorophenyl]methylamino]-1-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CNC(=O)CN1C=C(C=N1)NC2=NC(=NC=C2)C3=CC=CC=C3

DOS

IR

Vibrations