Geometry & MOs

Info

ID:	420144
PubChem CID:	135111390
Reduced:	OF3N3C15H20 (1)
Stoich.:	AB3C3D15E20 (1)
Weight, g/mol:	348.168522
ΔH_f, kcal/mol:	-174.39
Dipole, Da:	3.47
IP(EA), eV:	-8.73(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)N2C[C@H]3CN([C@@H](C2)COC3)C)C(F)(F)F

DOS

IR

Vibrations