Geometry & MOs

Info

ID:	192854
PubChem CID:	78321472
Reduced:	SO2N6C25H28 (1)
Stoich.:	AB2C6D25E28 (1)
Weight, g/mol:	397.191403
ΔH_f, kcal/mol:	28.52
Dipole, Da:	3.15
IP(EA), eV:	-8.65(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-fluoro-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CN=CC(=C1)C2=NN3C=CC(=C3C(=N2)NCC4CCCCC4)C5=CC=CC=C5

DOS

IR

Vibrations