Geometry & MOs

Info

ID:	449318
PubChem CID:	135297585
Reduced:	F2O2N5C27H27 (1)
Stoich.:	A2B2C5D27E27 (1)
Weight, g/mol:	490.229266
ΔH_f, kcal/mol:	-61.45
Dipole, Da:	8.95
IP(EA), eV:	-9.65(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[1-[6-(2,6-difluorophenyl)-4-(2,2-dimethylpentan-3-yl)pyridazin-3-yl]ethyl]pyrimidin-2-yl]-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1(C[C@@]2(CC[C@H]1C3=CC(=NN=C32)C4=C(C=CC=C4F)F)C5=NC(=CN=C5)C(=O)N6CC(C6)CO)C

DOS

IR

Vibrations