Geometry & MOs

Info

ID:	448549
PubChem CID:	135291776
Reduced:	O2F3N7H26C27 (1)
Stoich.:	A2B3C7D26E27 (1)
Weight, g/mol:	363.208883
ΔH_f, kcal/mol:	-119.11
Dipole, Da:	3.72
IP(EA), eV:	-8.73(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-pentylpyrazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@]1(CC[C@H]2COCN2C1)C3=NC(=C4N3C=CN=C4N)C5=CC=C(C=C5)C(=O)NC6=NC=CC(=C6)C(F)(F)F

DOS

IR

Vibrations