Geometry & MOs

Info

ID:	417167
PubChem CID:	135091563
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-3.13
Dipole, Da:	1.99
IP(EA), eV:	-8.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylpyridin-3-yl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CN3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations