Geometry & MOs

Info

ID:	420656
PubChem CID:	135114619
Reduced:	NSO2C21H25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-58.75
Dipole, Da:	4.02
IP(EA), eV:	-8.9(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-6-phenylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)C(=O)CCC4=CSC=C4

DOS

IR

Vibrations