Geometry & MOs

Info

ID:	140374
PubChem CID:	52687699
Reduced:	FOSN4H17C21 (1)
Stoich.:	ABCD4E17F21 (1)
Weight, g/mol:	436.224119
ΔH_f, kcal/mol:	14.1
Dipole, Da:	6.22
IP(EA), eV:	-8.63(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)F)NC3=NC=NC4=C3SC=C4

DOS

IR

Vibrations