Geometry & MOs

Info

ID:	251460
PubChem CID:	103104076
Reduced:	OSN5C7H13 (1)
Stoich.:	ABC5D7E13 (1)
Weight, g/mol:	291.180758
ΔH_f, kcal/mol:	3.09
Dipole, Da:	7.91
IP(EA), eV:	-9.22(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]acetamide

Drug info:

PubChemData

Smile

CCN(CC1=NN=C(S1)N)CC(=O)N

DOS

IR

Vibrations