Geometry & MOs

Info

ID:	415661
PubChem CID:	135088660
Reduced:	NO5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	362.147786
ΔH_f, kcal/mol:	-209.04
Dipole, Da:	5.77
IP(EA), eV:	-9.43(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1C(=O)N2CC[C@@H]([C@@H](C2)O)C(=O)O

DOS

IR

Vibrations