Geometry & MOs

Info

ID:	421950
PubChem CID:	135116898
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	352.14345
ΔH_f, kcal/mol:	-158.02
Dipole, Da:	4.84
IP(EA), eV:	-8.36(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(3-fluoro-2-methoxybenzoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C(=O)C4=C(C=CC=N4)O)OC

DOS

IR

Vibrations