Geometry & MOs

Info

ID:	417098
PubChem CID:	135091367
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-8.55
Dipole, Da:	5.88
IP(EA), eV:	-9.02(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)CC3=CC=NN3)OCC1

DOS

IR

Vibrations