Geometry & MOs

Info

ID:	444475
PubChem CID:	135262589
Reduced:	O3N6C27H34 (1)
Stoich.:	A3B6C27D34 (1)
Weight, g/mol:	291.174691
ΔH_f, kcal/mol:	-5.25
Dipole, Da:	2.74
IP(EA), eV:	-8.84(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[4-(5-methyl-1H-indazol-6-yl)piperidin-1-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C4COC4)N(N=C2)C5=CC(=NC(=N5)C)N6CCOC7(C6)COC7

DOS

IR

Vibrations