Geometry & MOs

Info

ID:	449351
PubChem CID:	135297872
Reduced:	FN3C13H13 (2)
Stoich.:	AB3C13D13 (2)
Weight, g/mol:	461.202717
ΔH_f, kcal/mol:	38.69
Dipole, Da:	6.39
IP(EA), eV:	-9.31(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(2,6-difluorophenyl)-5-ethyl-6,6,7-trimethyl-5H-cyclopenta[c]pyridazin-7-yl]pyrimidin-4-yl]-2-methyl-1,3-oxazole

Drug info:

PubChemData

Smile

CCC1C2=CC(=NN=C2C(C1(C)C)(C)C3=NC(=CC=C3)N4C=NC(=N4)C)C5=C(C=CC=C5F)F

DOS

IR

Vibrations