Geometry & MOs

Info

ID:	423881
PubChem CID:	135120607
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-12.01
Dipole, Da:	5.67
IP(EA), eV:	-9.08(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[(1S,5S)-7-(2-phenylethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]ethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CCCNC(=O)CCN2C=CN=C2C

DOS

IR

Vibrations