Geometry & MOs

Info

ID:	137446
PubChem CID:	52209073
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	344.14193
ΔH_f, kcal/mol:	-112.87
Dipole, Da:	4.31
IP(EA), eV:	-10.01(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)N(C1=O)CC(=O)N[C@H](C)C(C)C)C#N

DOS

IR

Vibrations