Geometry & MOs

Info

ID:	426626
PubChem CID:	135153034
Reduced:	SN3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	471.120583
ΔH_f, kcal/mol:	91.5
Dipole, Da:	2.46
IP(EA), eV:	-9.18(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(7-chloropyrrolo[1,2-b]pyridazin-3-yl)-5,5-dimethyl-4H-thieno[2,3-c]pyridine;2-methyl-1-thiophen-3-ylpropan-2-ol

Drug info:

PubChemData

Smile

CCC1(CC2=CC=CC=C2C(=N1)C3=CN=C4C(=N3)C=CS4)C

DOS

IR

Vibrations