Geometry & MOs

Info

ID:	419577
PubChem CID:	135108465
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-92.99
Dipole, Da:	4.1
IP(EA), eV:	-9.37(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1CCC(=O)O)O)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations