Geometry & MOs

Info

ID:	423161
PubChem CID:	135119035
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	346.152872
ΔH_f, kcal/mol:	-40.15
Dipole, Da:	5.96
IP(EA), eV:	-9.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)C3=CC=C(C=C3)N4C=CN=C4

DOS

IR

Vibrations