Geometry & MOs

Info

ID:	325244
PubChem CID:	126682258
Reduced:	SN4O9C27H46 (1)
Stoich.:	AB4C9D27E46 (1)
Weight, g/mol:	399.07464
ΔH_f, kcal/mol:	-385.72
Dipole, Da:	8.35
IP(EA), eV:	-8.81(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromopyrrolo[1,2-a]pyrimidin-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline

Drug info:

PubChemData

Smile

CCCC1OC(CC(O1)CC2CC(OC(O2)C)CC(CC(CC(C)OC(=O)C)OC(=O)CN3C(=S)N=NN3)O)CC

DOS

IR

Vibrations