Geometry & MOs

Info

ID:	416389
PubChem CID:	135089402
Reduced:	ClO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	294.137971
ΔH_f, kcal/mol:	7.22
Dipole, Da:	3.51
IP(EA), eV:	-8.83(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C3=C4C=C(C=CC4=NC=C3)Cl

DOS

IR

Vibrations