Geometry & MOs

Info

ID:	262270
PubChem CID:	103281170
Reduced:	SN4C9H10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	103.6
Dipole, Da:	4.64
IP(EA), eV:	-8.96(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methylphenyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]ethanol

Drug info:

PubChemData

Smile

C1CN=C2N=CNN2C1C3=CSC=C3

DOS

IR

Vibrations