Geometry & MOs

Info

ID:	417800
PubChem CID:	135102779
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	30.71
Dipole, Da:	6.14
IP(EA), eV:	-9.3(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(=O)N2CCCN(CC2)CC3=NC(=NO3)C4CC4

DOS

IR

Vibrations