Geometry & MOs

Info

ID:	150436
PubChem CID:	53790126
Reduced:	O2N3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	304.078268
ΔH_f, kcal/mol:	-42.98
Dipole, Da:	4.81
IP(EA), eV:	-8.86(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzenethiol

Drug info:

PubChemData

Smile

CC1=CC(=C2CN(C(=O)NC2=C1)O)N

DOS

IR

Vibrations