Geometry & MOs

Info

ID:	73416
PubChem CID:	48417654
Reduced:	O2F3N4C20H23 (1)
Stoich.:	A2B3C4D20E23 (1)
Weight, g/mol:	416.182396
ΔH_f, kcal/mol:	-179.17
Dipole, Da:	3.85
IP(EA), eV:	-9.24(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indazol-3-yl-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(=O)N2CCC(CC2)N(C)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations