Geometry & MOs

Info

ID:	151529
PubChem CID:	53837762
Reduced:	OSCl3F3N5H11C15 (1)
Stoich.:	ABC3D3E5F11G15 (1)
Weight, g/mol:	377.153955
ΔH_f, kcal/mol:	-68.69
Dipole, Da:	3.34
IP(EA), eV:	-9.66(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-benzyl-7-[(4-fluorophenyl)methoxy]-3-methylpyrrolo[2,3-d]pyridazin-2-yl]methanol

Drug info:

PubChemData

Smile

CC(C=NOC)NC1=C(C=NN1C2=C(C=C(C(=C2Cl)Cl)SC(F)(F)F)Cl)C#N

DOS

IR

Vibrations