Geometry & MOs

Info

ID:	138868
PubChem CID:	52436605
Reduced:	N2O2C19H24 (1)
Stoich.:	A2B2C19D24 (1)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	-33.89
Dipole, Da:	2.79
IP(EA), eV:	-9.54(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)amino]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CN1[C@@H]([C@H](CCC1=O)C(=O)N(CC=C)CC=C)C2=CC=CC=C2

DOS

IR

Vibrations