Geometry & MOs

Info

ID:	444485
PubChem CID:	135262602
Reduced:	O4N6C27H36 (1)
Stoich.:	A4B6C27D36 (1)
Weight, g/mol:	269.109503
ΔH_f, kcal/mol:	-91.3
Dipole, Da:	5.12
IP(EA), eV:	-8.72(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methylindazole;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)CN1CCC(CC1)C2=CC3=C(C=C2C)C=NN3C4=CC(=NC(=N4)OC)N5CCOC[C@H]5C

DOS

IR

Vibrations