Geometry & MOs

Info

ID:	414759
PubChem CID:	135087721
Reduced:	NO3F4H17C19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	352.14345
ΔH_f, kcal/mol:	-282.32
Dipole, Da:	3.99
IP(EA), eV:	-9.51(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-(2-fluoro-4-methoxybenzoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

C1CN(CC1(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3OC(C(F)F)(F)F

DOS

IR

Vibrations