Geometry & MOs

Info

ID:	415450
PubChem CID:	135088444
Reduced:	O2N6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	324.148535
ΔH_f, kcal/mol:	27.98
Dipole, Da:	4.97
IP(EA), eV:	-9.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NON=C1CNC2=NC=CC(=N2)N3CCCC(C3)O

DOS

IR

Vibrations