Geometry & MOs

Info

ID:	423207
PubChem CID:	135119119
Reduced:	ON4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	0.1
Dipole, Da:	5.39
IP(EA), eV:	-9.13(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(=O)N(CCN(C)C)CC2=CN=CN2

DOS

IR

Vibrations