Geometry & MOs

Info

ID:	306457
PubChem CID:	125011787
Reduced:	SF2O2N7C17H19 (1)
Stoich.:	AB2C2D7E17F19 (1)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	-79.11
Dipole, Da:	2.73
IP(EA), eV:	-8.92(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-methyl-N-(oxan-4-ylmethyl)-1-pyridin-2-ylpiperidin-3-amine

Drug info:

PubChemData

Smile

CC1=NN(C=C1S(=O)(=O)N2CC[C@@H](C2)C3=C(C=NN3)C4=CC(=NC=C4)N)C(F)F

DOS

IR

Vibrations