Geometry & MOs

Info

ID:	419559
PubChem CID:	135108416
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	334.152872
ΔH_f, kcal/mol:	29.32
Dipole, Da:	7.8
IP(EA), eV:	-9.03(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2(CC2)NC3=NC(=CN=C3)C(=O)N4CCCC4

DOS

IR

Vibrations