Geometry & MOs

Info

ID:	416103
PubChem CID:	135089111
Reduced:	ClO2N5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	316.134241
ΔH_f, kcal/mol:	31.06
Dipole, Da:	4.9
IP(EA), eV:	-9.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-(6-chloroquinolin-2-yl)-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(C)CN3C=NC=N3

DOS

IR

Vibrations