Geometry & MOs

Info

ID:	449340
PubChem CID:	135297770
Reduced:	OF2N4C24H24 (1)
Stoich.:	AB2C4D24E24 (1)
Weight, g/mol:	478.229266
ΔH_f, kcal/mol:	-57.52
Dipole, Da:	6.14
IP(EA), eV:	-9.81(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2S)-2-[4-butan-2-yl-6-(2,6-difluorophenyl)pyridazin-3-yl]-3-methylbutan-2-yl]pyrimidin-2-yl]-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CCC1CC[C@@](C2=NN=C(C=C12)C3=C(C=CC=C3F)F)(CC)C4=CC=CC(=N4)C(=O)N

DOS

IR

Vibrations