Geometry & MOs

Info

ID:	419677
PubChem CID:	135108692
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-41.05
Dipole, Da:	2.86
IP(EA), eV:	-8.82(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-[(3-propan-2-ylimidazol-4-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(CCO)CC2=C(NC=N2)C

DOS

IR

Vibrations