Geometry & MOs

Info

ID:	414888
PubChem CID:	135087860
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	338.103335
ΔH_f, kcal/mol:	-184.69
Dipole, Da:	7.85
IP(EA), eV:	-9.3(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCC2=CC=CC=C2CN3CCCC3=O

DOS

IR

Vibrations