Geometry & MOs

Info

ID:	420143
PubChem CID:	135111389
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	315.155847
ΔH_f, kcal/mol:	-100.76
Dipole, Da:	3.51
IP(EA), eV:	-8.49(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)[C@H](CO)N)C3=C1C4=CC=CC=C4N3

DOS

IR

Vibrations