Geometry & MOs

Info

ID:	262779
PubChem CID:	103316777
Reduced:	SN3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	296.109568
ΔH_f, kcal/mol:	63.3
Dipole, Da:	2.85
IP(EA), eV:	-8.35(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1CCN=C2N1NC(=C2)C3=C(C=CS3)C

DOS

IR

Vibrations