Geometry & MOs

Info

ID:	363179
PubChem CID:	127310218
Reduced:	ClOSN3C9H12 (1)
Stoich.:	ABCD3E9F12 (1)
Weight, g/mol:	357.154938
ΔH_f, kcal/mol:	-7.67
Dipole, Da:	4.77
IP(EA), eV:	-8.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1,2-oxazol-3-yl)-1-(1-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCSC1)C2=C(C(=O)NN=C2)Cl

DOS

IR

Vibrations