Geometry & MOs

Info

ID:	192875
PubChem CID:	78321839
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	373.171417
ΔH_f, kcal/mol:	5.01
Dipole, Da:	2.29
IP(EA), eV:	-8.46(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)NN=C2C3=CC(=NC=N3)N4CCOCC4

DOS

IR

Vibrations