Geometry & MOs

Info

ID:	426679
PubChem CID:	135153294
Reduced:	F4N4H18C21 (1)
Stoich.:	A4B4C18D21 (1)
Weight, g/mol:	346.101896
ΔH_f, kcal/mol:	-98.28
Dipole, Da:	3.38
IP(EA), eV:	-9.97(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,5,5-tetramethyl-7-pyrazolo[1,5-a]pyrimidin-6-ylthieno[2,3-c]pyridine;hydrochloride

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C(F)(F)F)C(=NC1(C)C)C3=NC4=C(C(=CC=C4)F)N=N3)C

DOS

IR

Vibrations