Geometry & MOs

Info

ID:	422560
PubChem CID:	135118037
Reduced:	NO6C17H21 (1)
Stoich.:	AB6C17D21 (1)
Weight, g/mol:	311.103669
ΔH_f, kcal/mol:	-208.57
Dipole, Da:	4.26
IP(EA), eV:	-9.01(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCCN2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations