Geometry & MOs

Info

ID:	190502
PubChem CID:	78012824
Reduced:	SO2N8C30H30 (1)
Stoich.:	AB2C8D30E30 (1)
Weight, g/mol:	440.23246
ΔH_f, kcal/mol:	67.62
Dipole, Da:	4.81
IP(EA), eV:	-8.2(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(8-azabicyclo[3.2.1]octan-3-yl)-6-(methoxymethyl)-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(N2C(=C(C=N2)C3=CN=C(C=C3)C4=CC=CC=C4)N=C1C5CC6CCC(C5)N6C7=C(C=CC=N7)N)N

DOS

IR

Vibrations