Geometry & MOs

Info

ID:	298775
PubChem CID:	117656509
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-85.71
Dipole, Da:	4.8
IP(EA), eV:	-9.68(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(1S,3S,7R)-7-methyl-3-bicyclo[4.2.1]nonanyl]piperidin-4-yl]-3-oxoquinoxaline-2-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C[C@@H]2CC[C@@H](N2)[C@@H](C3=CN=CC=C3)O

DOS

IR

Vibrations